%chk=000162857.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162857

0 1
 S    1.123100       1.453300       1.207400    
 O  -0.2338000      -1.130600       1.781400    
 O    4.859700       1.767000      0.8759000    
 O    3.914300       3.146200     -0.6553000    
 O    3.295700      -1.866100      -1.658000    
 N   -1.980600     -0.8598000      0.2471000    
 N    3.605100     -0.3710000      9.9900000E-02
 C   -2.016100      -2.226600     -0.2952000    
 C   -3.077000      4.5000002E-02 -4.5200001E-02
 C  -0.9067000     -0.4043000       1.045400    
 C   -2.034400      -3.245100      0.8371000    
 C  -0.8361000      -2.461600      -1.230200    
 C  -0.6310000       1.090600      0.9749000    
 C    3.199600      0.8301000     -0.5864000    
 C    1.691200       1.068000     -0.4821000    
 C   -3.832300      0.5847000      0.9959000    
 C   -3.375200      0.3756000      -1.367300    
 C   -4.885800       1.454600      0.7153000    
 C   -4.428700       1.245700      -1.647900    
 C    4.007600       2.038000     -0.1416000    
 C   -5.184000       1.785200     -0.6065000    
 C    3.618000      -1.621500     -0.4983000    
 C    4.107400      -2.697300      0.4338000    
 H   -2.943600      -2.347500     -0.8686000    
 H   -1.073300      -3.329900       1.352100    
 H   -2.799200      -2.996600       1.580900    
 H   -2.266600      -4.240400      0.4413000    
 H   0.1230000      -2.393500     -0.7055000    
 H  -0.8223000      -1.721400      -2.037300    
 H  -0.8969000      -3.455600      -1.685800    
 H  -0.9515000       1.530200      2.7400000E-02
 H   -1.184700       1.573500       1.786000    
 H    3.449700      0.6851000      -1.645600    
 H    1.404200       1.910300      -1.121100    
 H    1.162200      0.1796000     -0.8438000    
 H   -3.615300      0.3307000       2.030300    
 H   -2.792000     -3.1599998E-02  -2.188700    
 H    3.881400     -0.2908000       1.074500    
 H   -5.474900       1.873500       1.525900    
 H   -4.660000       1.504500      -2.677000    
 H   -6.004200       2.462600     -0.8251000    
 H    3.557300      -2.655800       1.378400    
 H    3.949600      -3.679100     -2.0900000E-02
 H    5.174500      -2.557000      0.6262000    
 H    5.375600       2.557600       1.142700    


%chk=000162857-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162857

0 1
S 0.382710 2.035773 0.120168
O 0.547600 -1.414133 -0.123496
O 3.426332 0.048252 2.260058
O 3.115035 2.344692 2.337804
O 5.129675 -0.037473 -1.430408
N -1.742421 -1.012177 -0.026729
N 3.030443 -0.099029 -0.421859
C -2.017518 -2.360524 0.610353
C -2.872761 -0.109064 -0.145595
C -0.451360 -0.647156 -0.368104
C -1.387363 -2.445473 2.019334
C -1.596205 -3.530556 -0.305382
C -0.234367 0.685168 -1.081118
C 3.195012 1.236133 0.135203
C 2.190921 2.274519 -0.410710
C -2.925882 1.077101 0.626860
C -3.952525 -0.447056 -0.999595
C -4.046640 1.931660 0.526516
C -5.074973 0.405108 -1.085315
C 3.222503 1.292983 1.667519
C -5.123886 1.598313 -0.325946
C 4.053889 -0.665832 -1.164270
C 3.801387 -2.091628 -1.636477
H -3.117055 -2.385036 0.723205
H -0.288373 -2.416749 1.954820
H -1.731581 -1.611015 2.656560
H -1.690787 -3.393191 2.500417
H -0.503700 -3.547513 -0.440661
H -2.077258 -3.455221 -1.297645
H -1.909775 -4.484422 0.156527
H 0.558778 0.545509 -1.832288
H -1.142366 1.077884 -1.559457
H 4.210422 1.557470 -0.200090
H 2.431633 3.273330 -0.011076
H 2.228812 2.297260 -1.511538
H -2.098162 1.323554 1.300791
H -3.903167 -1.363671 -1.597950
H 2.168310 -0.644365 -0.217819
H -4.078254 2.851081 1.120649
H -5.905121 0.143251 -1.750355
H -5.993610 2.260021 -0.398149
H 2.776188 -2.435823 -1.421105
H 3.996914 -2.156644 -2.720370
H 4.518328 -2.765641 -1.134691
H 3.473220 0.168829 3.247814


