ATOMS
1 O      -1.921806000000       0.316992000000       2.761287000000     R=1.72
2 C      -2.402977000000      -0.855576000000       3.203306000000     R=2.00
3 C      -2.900505000000      -0.955667000000       4.522499000000     R=2.00
4 C      -3.406351000000      -2.183847000000       4.951041000000     R=2.00
5 C      -3.441398000000      -3.317513000000       4.123065000000     R=2.00
6 C      -2.946986000000      -3.188513000000       2.823174000000     R=2.00
7 C      -2.423411000000      -1.977185000000       2.353326000000     R=2.00
8 H      -1.764416000000      -1.983157000000      -1.565008000000     R=1.30
9 H      -3.794768000000      -2.258608000000       5.970757000000     R=1.30
10 H      -2.964467000000      -4.050359000000       2.150757000000     R=1.30
11 H      -4.241554000000      -1.306716000000       0.932884000000     R=1.30
12 Hf      -2.040212000000       1.414653000000       1.072624000000     R=2.108
13 H      -0.610302000000      -0.769051000000      -0.981717000000     R=1.30
14 O      -1.862220000000       1.862863000000      -0.880582000000     R=1.72
15 N      -2.403001000000      -0.806255000000       0.088585000000     R=1.83
16 O      -4.064996000000       1.446221000000       1.091182000000     R=1.72
17 C      -2.159288000000       1.369346000000      -2.095948000000     R=2.00
18 C      -2.105726000000      -0.017521000000      -2.321765000000     R=2.00
19 C      -2.446210000000      -0.522619000000      -3.579158000000     R=2.00
20 C      -2.848646000000       0.317883000000      -4.621062000000     R=2.00
21 C      -2.898237000000       1.695556000000      -4.367305000000     R=2.00
22 C      -2.565036000000       2.242067000000      -3.125881000000     R=2.00
23 C      -1.672021000000      -0.939019000000      -1.219131000000     R=2.00
24 H      -2.414995000000      -1.603741000000      -3.738793000000     R=1.30
25 H      -3.223760000000       2.371289000000      -5.163218000000     R=1.30
26 C      -4.793781000000       1.232322000000      -0.030928000000     R=2.00
27 C      -5.619669000000       2.253087000000      -0.546646000000     R=2.00
28 C      -6.320320000000       2.007488000000      -1.730456000000     R=2.00
29 C      -6.235397000000       0.787730000000      -2.416384000000     R=2.00
30 C      -5.431206000000      -0.214334000000      -1.868424000000     R=2.00
31 C      -4.706129000000      -0.008843000000      -0.692137000000     R=2.00
32 H      -6.944997000000       2.805964000000      -2.141001000000     R=1.30
33 H      -5.336949000000      -1.172477000000      -2.385104000000     R=1.30
34 C      -3.872171000000      -1.099741000000      -0.082185000000     R=2.00
35 H      -3.971689000000      -2.027912000000      -0.670855000000     R=1.30
36 C      -1.829174000000      -1.880026000000       0.978312000000     R=2.00
37 H      -1.938832000000      -2.851823000000       0.466258000000     R=1.30
38 H      -0.753941000000      -1.669971000000       1.049846000000     R=1.30
39 H      -5.976092000000       3.444004000000       1.221006000000     R=1.30
40 H      -4.721927000000       4.083421000000       0.168042000000     R=1.30
41 S       0.818807000000       0.996815000000       0.962892000000     R=2.16
42 H      -1.861566000000       0.651914000000       5.519192000000     R=1.30
43 H      -4.012985000000      -5.384138000000       3.835261000000     R=1.30
44 H      -4.368346000000      -0.405702000000      -5.978113000000     R=1.30
45 H      -2.926663000000       4.273802000000      -3.752133000000     R=1.30
46 H      -6.429340000000       4.237973000000      -0.314273000000     R=1.30
47 H      -7.856780000000       1.173289000000      -3.803519000000     R=1.30
48 C      -2.882503000000       0.257163000000       5.408847000000     R=2.00
49 H      -3.480738000000       1.071570000000       4.972653000000     R=1.30
50 H      -3.280240000000       0.024601000000       6.404485000000     R=1.30
51 C      -3.995998000000      -4.625523000000       4.628711000000     R=2.00
52 H      -3.392704000000      -5.021778000000       5.459965000000     R=1.30
53 H      -5.022644000000      -4.506280000000       5.006063000000     R=1.30
54 C      -2.675562000000       3.713001000000      -2.843228000000     R=2.00
55 H      -3.461700000000       3.899888000000      -2.094873000000     R=1.30
56 H      -1.739421000000       4.114780000000      -2.427835000000     R=1.30
57 C      -3.278575000000      -0.242558000000      -5.952923000000     R=2.00
58 H      -3.034201000000       0.442134000000      -6.776817000000     R=1.30
59 H      -2.799165000000      -1.209732000000      -6.156284000000     R=1.30
60 C      -6.927747000000       0.590168000000      -3.740144000000     R=2.00
61 H      -6.277604000000       0.916177000000      -4.568499000000     R=1.30
62 H      -7.171219000000      -0.466885000000      -3.914407000000     R=1.30
63 C      -5.698541000000       3.574513000000       0.164966000000     R=2.00
64 O      -0.922232000000       3.029109000000       1.757185000000     R=1.72
65 C       1.320516000000       1.641490000000      -0.658522000000     R=2.00
66 O      -2.242002000000       3.671570000000       1.480181000000     R=1.72
67 H      -2.064828000000       4.149319000000       0.640640000000     R=1.30
68 C       1.621607000000      -0.632441000000       0.937250000000     R=2.00
69 H       2.707076000000      -0.486923000000       0.887872000000     R=1.30
70 H       1.287225000000      -1.237935000000       0.085678000000     R=1.30
71 H       1.366417000000      -1.132950000000       1.878335000000     R=1.30
72 H       2.413189000000       1.714113000000      -0.698469000000     R=1.30
73 H       0.870994000000       2.636211000000      -0.744598000000     R=1.30
74 H       0.942616000000       1.003685000000      -1.466139000000     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

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

