ATOMS
1 C      -2.698022000000       1.218414000000      -0.243612000000     R=2.00
2 C      -3.155435000000       1.198293000000      -1.577205000000     R=2.00
3 C      -4.437965000000       1.670585000000      -1.874176000000     R=2.00
4 C      -5.285004000000       2.175514000000      -0.883630000000     R=2.00
5 C      -4.815118000000       2.168602000000       0.437295000000     R=2.00
6 C      -3.546143000000       1.696875000000       0.781756000000     R=2.00
7 C      -2.264772000000       0.684968000000      -2.673390000000     R=2.00
8 C      -1.343705000000      -3.270165000000      -0.798254000000     R=2.00
9 C      -2.298467000000      -3.015181000000      -1.805130000000     R=2.00
10 C      -2.824275000000      -4.070305000000      -2.556346000000     R=2.00
11 C      -2.436240000000      -5.394896000000      -2.336129000000     R=2.00
12 C      -1.489246000000      -5.631100000000      -1.330151000000     R=2.00
13 C      -0.937593000000      -4.605667000000      -0.557139000000     R=2.00
14 C      -2.758309000000      -1.606875000000      -2.026064000000     R=2.00
15 C       0.892618000000       0.528030000000      -3.503754000000     R=2.00
16 C      -0.011320000000      -0.226218000000      -4.277152000000     R=2.00
17 C       0.044634000000      -0.143463000000      -5.673908000000     R=2.00
18 C       0.988223000000       0.649931000000      -6.330958000000     R=2.00
19 C       1.884105000000       1.384951000000      -5.539806000000     R=2.00
20 C       1.854027000000       1.346795000000      -4.145305000000     R=2.00
21 C      -0.998078000000      -1.164669000000      -3.635164000000     R=2.00
22 H      -4.781592000000       1.636576000000      -2.911524000000     R=1.30
23 C      -6.649310000000       2.721378000000      -1.221188000000     R=2.00
24 H      -5.465898000000       2.537295000000       1.235240000000     R=1.30
25 H      -2.843491000000       0.623780000000      -3.611762000000     R=1.30
26 H      -1.430725000000       1.379359000000      -2.846397000000     R=1.30
27 H      -1.161126000000      -6.657052000000      -1.139949000000     R=1.30
28 C      -3.025314000000      -6.531293000000      -3.132962000000     R=2.00
29 H      -0.317560000000       0.527404000000       2.660928000000     R=1.30
30 H      -3.526783000000      -1.585037000000      -2.819207000000     R=1.30
31 H      -3.218032000000      -1.212464000000      -1.108947000000     R=1.30
32 H      -0.674574000000      -0.720218000000      -6.262179000000     R=1.30
33 C       1.054959000000       0.708939000000      -7.836294000000     R=2.00
34 H       2.628860000000       2.020324000000      -6.027569000000     R=1.30
35 H      -1.780571000000      -1.417406000000      -4.373820000000     R=1.30
36 H      -0.501075000000      -2.108718000000      -3.363634000000     R=1.30
37 N      -1.659386000000      -0.658539000000      -2.394129000000     R=1.83
38 O      -1.472032000000       0.765109000000       0.061953000000     R=1.72
39 O       1.341299000000       0.610796000000       0.601489000000     R=1.72
40 O       0.853205000000       0.509878000000      -2.164564000000     R=1.72
41 O      -0.819439000000      -2.261117000000      -0.079362000000     R=1.72
42 Hf       0.008658000000      -0.428852000000      -0.588585000000     R=2.108
43 O       1.410057000000      -0.981736000000       1.149776000000     R=1.72
44 C       2.802288000000       2.156085000000      -3.307205000000     R=2.00
45 C      -3.083468000000       1.667258000000       2.210808000000     R=2.00
46 C       0.057014000000      -4.910259000000       0.527520000000     R=2.00
47 O       1.475049000000      -2.067087000000      -1.470705000000     R=1.72
48 H       1.388146000000      -2.811847000000      -0.846411000000     R=1.30
49 C       2.882341000000      -1.784232000000      -1.684224000000     R=2.00
50 H       3.330241000000      -1.378175000000      -0.767347000000     R=1.30
51 H       3.398994000000      -2.699284000000      -1.997034000000     R=1.30
52 H       2.929287000000      -1.036757000000      -2.480108000000     R=1.30
53 C       3.660582000000      -0.214676000000       2.641847000000     R=2.00
54 C       4.508345000000       1.347473000000       4.284778000000     R=2.00
55 C       3.232633000000       1.435718000000       4.840919000000     R=2.00
56 C       2.173744000000       0.699017000000       4.299076000000     R=2.00
57 H       3.821654000000      -0.842403000000       1.765384000000     R=1.30
58 H       5.710979000000       0.440657000000       2.733249000000     R=1.30
59 H       5.333649000000       1.924096000000       4.704457000000     R=1.30
60 H       3.052900000000       2.083590000000       5.700202000000     R=1.30
61 C       4.718593000000       0.514674000000       3.180992000000     R=2.00
62 H      -6.626905000000       3.818840000000      -1.316284000000     R=1.30
63 H      -7.383051000000       2.479642000000      -0.439417000000     R=1.30
64 H      -7.017201000000       2.317518000000      -2.174039000000     R=1.30
65 H      -2.149312000000       2.231884000000       2.342705000000     R=1.30
66 H      -3.842478000000       2.093593000000       2.878425000000     R=1.30
67 H      -2.868113000000       0.639108000000       2.536538000000     R=1.30
68 H       3.529980000000       2.686269000000      -3.934301000000     R=1.30
69 H       1.928988000000       0.158970000000      -8.219764000000     R=1.30
70 H       2.255743000000       2.891653000000      -2.697812000000     R=1.30
71 H       3.348482000000       1.514116000000      -2.598956000000     R=1.30
72 H       1.145148000000       1.744909000000      -8.193846000000     R=1.30
73 H       0.159315000000       0.267082000000      -8.292748000000     R=1.30
74 H      -3.555876000000      -3.844372000000      -3.336864000000     R=1.30
75 H      -3.504629000000      -6.167490000000      -4.051571000000     R=1.30
76 H      -3.790107000000      -7.071985000000      -2.552977000000     R=1.30
77 H      -2.256737000000      -7.264934000000      -3.415297000000     R=1.30
78 H       0.964301000000      -4.289015000000       0.460194000000     R=1.30
79 H       0.365460000000      -5.962407000000       0.495396000000     R=1.30
80 H      -0.367769000000      -4.706025000000       1.522017000000     R=1.30
81 C       1.248054000000      -0.975321000000       2.585469000000     R=2.00
82 H       1.185860000000       0.786489000000       4.750654000000     R=1.30
83 H       0.647103000000      -3.060061000000       2.551765000000     R=1.30
84 C      -0.154067000000      -0.510787000000       2.967402000000     R=2.00
85 H      -0.889883000000      -1.144756000000       2.455659000000     R=1.30
86 H      -0.324587000000      -0.598751000000       4.047428000000     R=1.30
87 C       1.446667000000      -2.448210000000       2.983023000000     R=2.00
88 H       2.418129000000      -2.817264000000       2.630671000000     R=1.30
89 H       1.415152000000      -2.534946000000       4.077151000000     R=1.30
90 C       2.372384000000      -0.131799000000       3.190926000000     R=2.00
END


SOLVATION
    Surf Esurf
    Solv name=Chloroform cav0=0.0 cav1=0.0067639
    Charged method=CONJ
    C-Mat POT
    SCF VAR ALL 
    CSMRSP
END

BASIS
type TZ2P
core Small
createoutput None
END

XC
GGA PBE
DISPERSION Grimme3
END

RELATIVISTIC Scalar ZORA

SCANFREQ -1000 0

GEOMETRY
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

