%chk=000097281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097281

0 1
 S   0.5572000       1.378400     -0.1455000    
 S   -1.142100      -1.148100     -0.2679000    
 O   3.8899999E-02   1.482400       1.211300    
 O   0.6461000       2.573600     -0.9721000    
 O   -1.245900      -2.213800      -1.246400    
 O  -0.5767000      -1.410000       1.041100    
 N  -0.3445000      0.1849000     -0.9809000    
 N    5.950800      -1.095000      0.2365000    
 C    2.140900      0.6520000     -3.3700000E-02
 C   -2.777100     -0.5211000     -4.3200001E-02
 C    3.080200      0.8674000      -1.042300    
 C    2.467000     -0.1438000       1.064400    
 C   -3.710400     -0.6843000      -1.053800    
 C   -3.099100      0.1247000       1.139000    
 C    4.345400      0.2871000     -0.9527000    
 C    3.732200     -0.7241000       1.154200    
 C    4.671400     -0.5087000      0.1456000    
 C   -5.001800     -0.1878000     -0.8771000    
 C   -4.390500      0.6213000       1.315800    
 C   -5.341900      0.4650000      0.3077000    
 H  -0.3578000      0.2450000      -2.007000    
 H    2.844500       1.478300      -1.909100    
 H    1.757900     -0.3229000       1.866800    
 H   -3.464600      -1.181200      -1.987200    
 H   -2.374600      0.2559000       1.936200    
 H    5.068100      0.4612000      -1.745700    
 H    3.974800      -1.340900       2.015700    
 H   -5.742200     -0.3074000      -1.662700    
 H   -4.655600       1.129600       2.238300    
 H   -6.347200      0.8521000      0.4451000    
 H    6.631800     -0.9399000     -0.4948000    
 H    6.187400      -1.672900       1.032000    


%chk=000097281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097281

0 1
S 0.679497 1.515327 -0.355061
S -1.300926 -1.156630 -0.592770
O -0.102557 1.685777 1.054610
O 0.930421 2.770161 -1.355725
O -1.489152 -2.201751 -1.830328
O -0.476709 -1.606512 0.735190
N -0.512004 0.389485 -1.414847
N 6.043364 -1.154120 0.482885
C 2.315586 0.653453 -0.106525
C -2.991698 -0.474559 -0.109601
C 3.418901 1.137129 -0.838101
C 2.406349 -0.409048 0.814700
C -4.093261 -0.990375 -0.809188
C -3.066281 0.477397 0.918858
C 4.668015 0.528919 -0.637734
C 3.660175 -1.009824 1.006098
C 4.809073 -0.553670 0.285943
C -5.372913 -0.520864 -0.431727
C -4.357938 0.932784 1.272212
C -5.501861 0.434321 0.603809
H 0.061008 -0.001671 -2.206152
H 3.297791 1.976076 -1.530824
H 1.519618 -0.771266 1.344385
H -3.951993 -1.725631 -1.607692
H -2.163111 0.869522 1.399488
H 5.541755 0.891519 -1.190838
H 3.754609 -1.843063 1.711395
H -6.260552 -0.899576 -0.948573
H -4.463286 1.682073 2.063304
H -6.496292 0.795669 0.887213
H 6.866037 -0.840212 -0.024653
H 6.150938 -1.923843 1.137853


