ATOMS
1  O        -5.936647    1.481517    1.517134     R=1.72
2  C        -6.419521    0.237868    1.743723     R=2.00
3  C        -7.790800    0.010763    1.506736     R=2.00
4  C        -8.281119   -1.274553    1.734783     R=2.00
5  C        -7.463551   -2.321544    2.189912     R=2.00
6  C        -6.109517   -2.054046    2.412426     R=2.00
7  C        -5.568832   -0.782118    2.199395     R=2.00
8  H        -1.574224   -0.665496    2.189336     R=1.30
9  H        -9.340168   -1.467920    1.547521     R=1.30
10 H        -5.451389   -2.852419    2.762623     R=1.30
11 H        -4.456050   -1.136237    0.121667     R=1.30
12 W        -4.377976    2.395783    0.919146     R=1.992
13 H        -2.053480    0.944951    2.772156     R=1.30
14 O        -2.513130    2.793805    0.533098     R=1.72
15 N        -3.367509    0.130407    1.369512     R=1.83
16 O        -4.512256    1.581163   -0.841931     R=1.72
17 C        -1.334247    2.153694    0.267761     R=2.00
18 C        -1.021807    0.935782    0.890599     R=2.00
19 C         0.191425    0.319236    0.585149     R=2.00
20 C         1.094545    0.882980   -0.323555     R=2.00
21 C         0.749952    2.099805   -0.922374     R=2.00
22 C        -0.453672    2.755839   -0.646847     R=2.00
23 C        -1.970544    0.315114    1.873936     R=2.00
24 H         0.427930   -0.635843    1.060292     R=1.30
25 H         1.437340    2.555532   -1.639214     R=1.30
26 C        -3.610473    0.920683   -1.613011     R=2.00
27 C        -3.308633    1.434376   -2.887535     R=2.00
28 C        -2.321497    0.785348   -3.633040     R=2.00
29 C        -1.647965   -0.347718   -3.156486     R=2.00
30 C        -2.008768   -0.853230   -1.902788     R=2.00
31 C        -2.983000   -0.234596   -1.119245     R=2.00
32 H        -2.057056    1.190543   -4.613036     R=1.30
33 H        -1.500020   -1.736739   -1.510372     R=1.30
34 C        -3.408452   -0.808838    0.203256     R=2.00
35 H        -2.804481   -1.702062    0.438963     R=1.30
36 C        -4.129285   -0.489051    2.504226     R=2.00
37 H        -3.625629   -1.422348    2.809439     R=1.30
38 H        -4.055369    0.220996    3.341089     R=1.30
39 H        -5.092752    2.442953   -3.561430     R=1.30
40 H        -3.989518    3.470943   -2.655000     R=1.30
41 O        -5.027971    3.961853    0.569436     R=1.72
42 H        -8.638766    1.982308    1.706595     R=1.30
43 H        -7.252567   -4.424915    2.646923     R=1.30
44 H         2.177750   -0.662825   -1.369379     R=1.30
45 H        -0.002755    4.424993   -1.927970     R=1.30
46 H        -3.589065    3.007120   -4.333068     R=1.30
47 H        -0.656951   -0.825552   -5.022425     R=1.30
48 C        -8.661420    1.129625    1.012552     R=2.00
49 H        -8.305373    1.507336    0.042678     R=1.30
50 H        -9.699348    0.795695    0.898327     R=1.30
51 C        -8.040111   -3.690486    2.436321     R=2.00
52 H        -8.728582   -3.677487    3.295128     R=1.30
53 H        -8.616406   -4.040594    1.567894     R=1.30
54 C        -0.832965    4.040524   -1.323690     R=2.00
55 H        -1.698895    3.885374   -1.984349     R=1.30
56 H        -1.128057    4.808568   -0.594930     R=1.30
57 C         2.374279    0.172864   -0.678968     R=2.00
58 H         3.084444    0.849310   -1.171703     R=1.30
59 H         2.859272   -0.251064    0.211343     R=1.30
60 C        -0.522315   -0.966786   -3.941718     R=2.00
61 H         0.438196   -0.501348   -3.666775     R=1.30
62 H        -0.433139   -2.042656   -3.739837     R=1.30
63 C        -4.026275    2.654852   -3.390980     R=2.00
64 H        -2.328906    3.615723    2.300348     R=1.30
65 O        -3.897901    2.628059    2.816638     R=1.72
66 O        -2.793427    3.521428    3.166752     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

AnalyticalFreq
END

ScanFreq -1000 0

NumericalQuality Good

NOPRINT LOGFILE

