ATOMS
1 C      -2.099197000000       1.335934000000      -0.059498000000     R=2.00
2 C      -2.766674000000       1.311933000000      -1.301801000000     R=2.00
3 C      -4.032275000000       1.903397000000      -1.401777000000     R=2.00
4 C      -4.641329000000       2.534129000000      -0.312911000000     R=2.00
5 C      -3.946409000000       2.552772000000       0.905681000000     R=2.00
6 C      -2.689136000000       1.964664000000       1.058264000000     R=2.00
7 C      -2.100778000000       0.743092000000      -2.526884000000     R=2.00
8 C      -1.469322000000      -3.296502000000      -0.771688000000     R=2.00
9 C      -2.364615000000      -2.992884000000      -1.816817000000     R=2.00
10 C      -2.924499000000      -4.033368000000      -2.563271000000     R=2.00
11 C      -2.624777000000      -5.373773000000      -2.294064000000     R=2.00
12 C      -1.738111000000      -5.649463000000      -1.242938000000     R=2.00
13 C      -1.153352000000      -4.640709000000      -0.471267000000     R=2.00
14 C      -2.733868000000      -1.556779000000      -2.055332000000     R=2.00
15 C       1.074949000000       0.385324000000      -3.541673000000     R=2.00
16 C       0.044380000000      -0.193422000000      -4.313276000000     R=2.00
17 C       0.041863000000       0.016308000000      -5.699267000000     R=2.00
18 C       1.032364000000       0.761629000000      -6.343285000000     R=2.00
19 C       2.045097000000       1.323301000000      -5.551303000000     R=2.00
20 C       2.084051000000       1.155244000000      -4.167228000000     R=2.00
21 C      -1.024871000000      -1.084050000000      -3.720568000000     R=2.00
22 H      -4.550787000000       1.872649000000      -2.363787000000     R=1.30
23 C      -5.988126000000       3.199069000000      -0.447474000000     R=2.00
24 H      -4.403971000000       3.037508000000       1.772615000000     R=1.30
25 H      -2.811214000000       0.779028000000      -3.372094000000     R=1.30
26 H      -1.238004000000       1.365710000000      -2.804300000000     R=1.30
27 H      -1.488269000000      -6.689896000000      -1.017026000000     R=1.30
28 C      -3.250576000000      -6.490847000000      -3.090806000000     R=2.00
29 H       0.051644000000      -0.543052000000       2.765769000000     R=1.30
30 H      -3.489716000000      -1.491340000000      -2.858365000000     R=1.30
31 H      -3.181854000000      -1.134873000000      -1.142934000000     R=1.30
32 H      -0.766202000000      -0.421200000000      -6.291877000000     R=1.30
33 C       1.024557000000       0.950133000000      -7.839375000000     R=2.00
34 H       2.827597000000       1.920286000000      -6.028053000000     R=1.30
35 H      -1.856410000000      -1.155988000000      -4.445221000000     R=1.30
36 H      -0.632565000000      -2.102188000000      -3.581308000000     R=1.30
37 N      -1.583370000000      -0.661332000000      -2.398588000000     R=1.83
38 O      -0.896984000000       0.752497000000       0.079940000000     R=1.72
39 C       2.445133000000       0.740692000000       2.277134000000     R=2.00
40 O       1.117172000000       0.253315000000      -2.206381000000     R=1.72
41 O      -0.887654000000      -2.300460000000      -0.078513000000     R=1.72
42 Hf       0.197434000000      -0.701512000000      -0.704813000000     R=2.108
43 O       1.638322000000      -0.774300000000       0.594204000000     R=1.72
44 C       3.158310000000       1.771233000000      -3.314989000000     R=2.00
45 C      -1.952592000000       1.971240000000       2.368355000000     R=2.00
46 C      -0.216664000000      -4.944785000000       0.667527000000     R=2.00
47 O       1.183790000000      -2.528683000000      -1.867035000000     R=1.72
48 H       0.956729000000      -3.336078000000      -1.368811000000     R=1.30
49 C       2.608024000000      -2.532238000000      -2.154515000000     R=2.00
50 H       3.180762000000      -2.368746000000      -1.232019000000     R=1.30
51 H       2.884557000000      -3.482623000000      -2.625582000000     R=1.30
52 H       2.784405000000      -1.706964000000      -2.849534000000     R=1.30
53 C       2.746461000000       1.642977000000       1.247305000000     R=2.00
54 C       3.220191000000       3.391005000000       2.855825000000     R=2.00
55 C       2.926417000000       2.499589000000       3.889835000000     R=2.00
56 C       2.543677000000       1.187481000000       3.601523000000     R=2.00
57 H       2.661125000000       1.308816000000       0.213336000000     R=1.30
58 H       3.354596000000       3.641567000000       0.713984000000     R=1.30
59 H       3.514791000000       4.417320000000       3.080105000000     R=1.30
60 H       2.990631000000       2.826512000000       4.929152000000     R=1.30
61 C       3.129793000000       2.954412000000       1.531995000000     R=2.00
62 H      -5.882066000000       4.283521000000      -0.610459000000     R=1.30
63 H      -6.593376000000       3.066491000000       0.460205000000     R=1.30
64 H      -6.551490000000       2.792812000000      -1.298177000000     R=1.30
65 H      -0.934489000000       2.371108000000       2.250243000000     R=1.30
66 H      -2.486203000000       2.568164000000       3.118394000000     R=1.30
67 H      -1.835315000000       0.948683000000       2.758762000000     R=1.30
68 H       3.888011000000       2.312646000000      -3.929660000000     R=1.30
69 H       1.811996000000       0.349237000000      -8.321130000000     R=1.30
70 H       2.728034000000       2.469725000000      -2.580993000000     R=1.30
71 H       3.688197000000       1.005367000000      -2.728601000000     R=1.30
72 H       1.208562000000       1.999227000000      -8.112670000000     R=1.30
73 H       0.063151000000       0.647254000000      -8.274729000000     R=1.30
74 H      -3.612180000000      -3.787675000000      -3.376941000000     R=1.30
75 H      -3.667597000000      -6.120944000000      -4.036806000000     R=1.30
76 H      -4.070947000000      -6.968235000000      -2.531836000000     R=1.30
77 H      -2.518345000000      -7.277126000000      -3.323051000000     R=1.30
78 H       0.736411000000      -4.397547000000       0.583010000000     R=1.30
79 H       0.005536000000      -6.017388000000       0.721104000000     R=1.30
80 H      -0.650325000000      -4.627819000000       1.628341000000     R=1.30
81 C       2.057348000000      -0.709277000000       1.941733000000     R=2.00
82 H       2.321464000000       0.510754000000       4.427450000000     R=1.30
83 H       3.030314000000      -2.647873000000       1.845159000000     R=1.30
84 C       0.916186000000      -1.216449000000       2.837233000000     R=2.00
85 H       0.611139000000      -2.213184000000       2.492156000000     R=1.30
86 H       1.217291000000      -1.291171000000       3.889783000000     R=1.30
87 C       3.297409000000      -1.610656000000       2.095759000000     R=2.00
88 H       4.086913000000      -1.274120000000       1.410546000000     R=1.30
89 H       3.685928000000      -1.582117000000       3.122493000000     R=1.30
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

