%chk=000145828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145828

0 1
 S   -3.399600      -1.019400      2.8100001E-02
 O   -3.962400      -1.394900       1.310500    
 O   -3.914600      -1.533100      -1.226400    
 O  -0.1089000       1.818500     -3.5999998E-02
 N    1.711300      4.1000001E-02  7.9599999E-02
 N    5.387300      0.4016000      0.1279000    
 C   -1.705300      -1.438900      8.2699999E-02
 C  -0.7212000     -0.4575000      5.4800000E-02
 C   0.6214000     -0.8633000      0.1024000    
 C   -3.531000      0.7190000     -6.9600001E-02
 C   -1.382200      -2.797200      0.1553000    
 C   -2.398600       1.525100     -8.5900001E-02
 C   -1.017500      0.9922000     -2.2700001E-02
 C    3.071000     -0.3892000      0.1271000    
 C    3.993400      0.8208000      5.2900001E-02
 C   0.9553000      -2.218700      0.1752000    
 C  -4.6300001E-02  -3.185100      0.2015000    
 C    6.277900       1.563200      9.6000001E-02
 C    5.710300     -0.5153000     -0.9670000    
 C   -4.817400       1.263200     -0.1311000    
 C   -2.575400       2.915100     -0.1661000    
 C   -2.415700      -3.877300      0.1875000    
 C   -4.977400       2.643400     -0.2107000    
 C   -3.857100       3.469500     -0.2281000    
 C    5.960600       2.529400       1.224900    
 C    7.142100      -1.012200     -0.8627000    
 H    3.794300       1.393500     -0.8634000    
 H    3.724200       1.463100      0.8988000    
 H    3.275300     -0.9441000       1.051300    
 H    3.226400      -1.041500     -0.7355000    
 H    1.508600       1.031100      3.1700000E-02
 H    1.975400      -2.586300      0.2173000    
 H   0.2343000      -4.233400      0.2591000    
 H    7.317100       1.256400      0.2531000    
 H    6.228800       2.091200     -0.8647000    
 H    5.113100      -1.428900     -0.9139000    
 H    5.541800     -6.0100000E-02  -1.950900    
 H   -5.697000      0.6255000     -0.1178000    
 H   -1.727800       3.595900     -0.1827000    
 H   -1.956300      -4.870700      0.2533000    
 H   -3.062800      -3.782100       1.064000    
 H   -3.016800      -3.878400     -0.7260000    
 H   -5.972800       3.074700     -0.2589000    
 H   -3.978300       4.547200     -0.2902000    
 H    5.055500       3.114400       1.034400    
 H    5.859700       2.014600       2.186500    
 H    6.778800       3.251500       1.328000    
 H    7.871600     -0.2517000      -1.157600    
 H    7.379300      -1.360500      0.1486000    
 H    7.287300      -1.860600      -1.541500    


%chk=000145828-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145828

0 1
S -3.565265 -1.112494 0.003462
O -4.390418 -1.438633 1.382767
O -4.087490 -1.832814 -1.372926
O -0.064610 1.762432 -0.576971
N 1.698652 -0.015765 -0.075484
N 5.422265 0.586264 -0.149785
C -1.715443 -1.492291 0.227951
C -0.727790 -0.478334 -0.003728
C 0.670109 -0.896950 0.132204
C -3.606475 0.742885 -0.239718
C -1.455476 -2.829533 0.565863
C -2.416549 1.479531 -0.407614
C -1.024174 0.922957 -0.343133
C 3.122006 -0.346294 0.067234
C 3.979676 0.918658 -0.154536
C 0.949099 -2.257493 0.491284
C -0.075416 -3.176948 0.698335
C 6.269762 1.647470 0.459919
C 5.910282 0.135957 -1.483554
C -4.890486 1.312954 -0.268974
C -2.560804 2.878290 -0.632100
C -2.526744 -3.883453 0.783535
C -5.001567 2.702241 -0.490552
C -3.831679 3.479648 -0.677030
C 6.166509 1.685380 1.996347
C 7.144618 -0.781166 -1.395821
H 3.664941 1.417271 -1.105094
H 3.768426 1.633297 0.661390
H 3.341280 -0.746885 1.076573
H 3.416151 -1.128344 -0.663713
H 1.388517 0.939079 -0.353165
H 1.988651 -2.577095 0.595464
H 0.174446 -4.210081 0.965613
H 7.318618 1.437450 0.183724
H 6.027797 2.655389 0.037619
H 5.090149 -0.424835 -1.970502
H 6.130776 1.008597 -2.148984
H -5.775238 0.687755 -0.114894
H -1.643877 3.459794 -0.764249
H -2.064510 -4.879794 0.878379
H -3.115102 -3.675997 1.694518
H -3.243531 -3.910738 -0.056918
H -5.989910 3.172213 -0.517779
H -3.915227 4.557182 -0.852065
H 5.136743 1.899084 2.336800
H 6.469974 0.713098 2.421618
H 6.823283 2.474128 2.408279
H 8.012051 -0.266044 -0.945339
H 6.917158 -1.666259 -0.776565
H 7.445540 -1.120063 -2.404582


