ATOMS
1  O        -5.996978    1.517933    1.580030    R=1.72
2  C        -6.445080    0.258320    1.700724    R=2.00
3  C        -7.763076   -0.055786    1.307240    R=2.00
4  C        -8.196092   -1.370333    1.489062    R=2.00
5  C        -7.373775   -2.372501    2.030322    R=2.00
6  C        -6.064781   -2.029931    2.383564    R=2.00
7  C        -5.594352   -0.723090    2.228004    R=2.00
8  H        -1.691547   -0.450231    2.339698    R=1.30
9  H        -9.215374   -1.626589    1.188126    R=1.30
10 H        -5.391521   -2.791980    2.783673    R=1.30
11 H        -4.490296   -1.011480    0.224868    R=1.30
12 W        -4.372004    2.417465    0.975640    R=1.992
13 H        -2.129539    1.207371    2.815166    R=1.30
14 O        -2.588174    2.725131    0.221068    R=1.72
15 N        -3.443121    0.326001    1.441438    R=1.83
16 O        -4.686206    1.573235   -0.846239    R=1.72
17 C        -1.386135    2.129842    0.140234    R=2.00
18 C        -1.057251    1.033050    0.952639    R=2.00
19 C         0.186266    0.417074    0.797965    R=2.00
20 C         1.121722    0.877446   -0.133709    R=2.00
21 C         0.771816    1.984367   -0.918717    R=2.00
22 C        -0.466766    2.618666   -0.813373    R=2.00
23 C        -2.039968    0.523049    1.959873    R=2.00
24 H         0.424578   -0.450021    1.419089    R=1.30
25 H         1.485258    2.361342   -1.656247    R=1.30
26 C        -3.779060    0.946050   -1.613938    R=2.00
27 C        -3.526393    1.383801   -2.928915    R=2.00
28 C        -2.510480    0.749353   -3.650215    R=2.00
29 C        -1.748047   -0.297390   -3.114415    R=2.00
30 C        -2.053512   -0.738519   -1.821855    R=2.00
31 C        -3.057030   -0.132401   -1.068204    R=2.00
32 H        -2.292337    1.101529   -4.662111    R=1.30
33 H        -1.478098   -1.554794   -1.378671    R=1.30
34 C        -3.454404   -0.649534    0.282182    R=2.00
35 H        -2.819100   -1.502578    0.567993    R=1.30
36 C        -4.199073   -0.321185    2.587935    R=2.00
37 H        -3.627947   -1.205952    2.908910    R=1.30
38 H        -4.187813    0.409365    3.407968    R=1.30
39 H        -5.393256    2.387279   -3.353530    R=1.30
40 H        -4.055001    3.479752   -2.988402    R=1.30
41 O        -3.821688    2.873382    2.549016    R=1.72
42 H        -8.819317    1.820836    1.434132    R=1.30
43 H        -7.079366   -4.482987    2.403921    R=1.30
44 H         2.357433   -0.616090   -1.089081    R=1.30
45 H        -0.012773    4.070881   -2.336484    R=1.30
46 H        -4.107873    2.666241   -4.562939    R=1.30
47 H        -0.687192   -0.712376   -4.956568    R=1.30
48 C        -8.638075    1.009751    0.713022    R=2.00
49 H        -8.151305    1.472383   -0.157910    R=1.30
50 H        -9.605219    0.596368    0.402254    R=1.30
51 C        -7.896685   -3.771652    2.228006    R=2.00
52 H        -8.573794   -3.821059    3.095183    R=1.30
53 H        -8.468456   -4.112018    1.353091    R=1.30
54 C        -0.849769    3.772711   -1.693496    R=2.00
55 H        -1.699127    3.496073   -2.335876    R=1.30
56 H        -1.168235    4.643188   -1.101707    R=1.30
57 C         2.440433    0.174755   -0.326082    R=2.00
58 H         3.220274    0.871007   -0.662950    R=1.30
59 H         2.781375   -0.302191    0.602763    R=1.30
60 C        -0.593191   -0.891896   -3.877387    R=2.00
61 H         0.358126   -0.443213   -3.547853    R=1.30
62 H        -0.514496   -1.975543   -3.712673    R=1.30
63 C        -4.312878    2.533168   -3.493466    R=2.00
64 H        -4.650900    4.315369   -0.894460    R=1.30
65 O        -5.770525    3.776108    0.583285    R=1.72
66 O        -4.606474    4.492920    0.075960    R=1.72
END

SOLVATION
    Surf Esurf
    Solvent 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

GEOMETRY
END

SCANFREQ -1000 0

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

