%chk=000157593.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157593

0 1
 S    4.586400      -1.850000      6.8499997E-02
 S    4.195300       1.019300      0.8442000    
 O   0.1304000     -0.6904000       1.589000    
 O    1.182200       1.860400     -0.7014000    
 O  -0.9278000       2.055600       1.015500    
 O   -3.060900      -1.328000      9.7000003E-03
 O   0.8612000      -2.765000      0.2314000    
 O   0.4814000       1.558000      -2.882000    
 O   -3.152900       2.375700      0.4834000    
 O   -3.161600      -3.322900      -1.151000    
 N    2.223300     -0.8869000      0.5663000    
 C   0.5352000      0.6667000     -0.3108000    
 C  -0.8813000      0.9100000      0.1654000    
 C    1.173400      2.8899999E-02  0.9111000    
 C   -1.145600     -0.3208000       1.022000    
 C   -1.672100      -1.507000      0.2251000    
 C    1.967500      -2.232100      0.2503000    
 C    3.566600     -0.4967000      0.5236000    
 C    3.215400      -3.002500     -7.7100001E-02
 C    1.078700       2.197200      -2.026600    
 C   -2.132700       2.694100       1.079100    
 C   -3.690800      -2.316900     -0.6984000    
 C    1.808600       3.478700      -2.293400    
 C   -2.032800       3.869600       2.003400    
 C   -5.147000      -1.995200     -0.8472000    
 H   0.5314000     -6.2799998E-02  -1.132300    
 H   -1.568400       1.025000     -0.6804000    
 H    1.535700      0.7893000       1.609900    
 H   -1.824100     -9.8099999E-02   1.853400    
 H   -1.160100      -1.611600     -0.7375000    
 H   -1.529100      -2.429100      0.8007000    
 H    3.334300      -3.825400      0.6322000    
 H    3.150400      -3.387900      -1.097600    
 H    2.871200       3.351900      -2.072200    
 H    1.700200       3.745400      -3.348400    
 H    1.381500       4.280600      -1.686000    
 H   -1.771100       3.529000       3.008400    
 H   -2.999600       4.378900       2.048500    
 H   -1.285600       4.573300       1.628100    
 H   -5.264200      -1.052600      -1.387800    
 H   -5.637400      -2.788300      -1.418900    
 H   -5.615200      -1.934800      0.1384000    


%chk=000157593-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157593

0 1
S 4.843949 -1.819732 0.660712
S 3.815319 0.480298 2.416010
O 0.128801 -1.080208 1.440282
O 0.935216 1.864439 -0.538163
O -1.335132 1.609869 1.040484
O -2.990417 -1.755794 -0.579963
O 1.329634 -2.258646 -1.141044
O 0.929231 1.542865 -2.856705
O -1.862343 3.060597 -0.714678
O -4.003055 -2.538246 1.373637
N 2.340930 -0.906088 0.513697
C 0.403542 0.509977 -0.357421
C -1.084644 0.510080 0.072838
C 1.107921 -0.157873 0.845913
C -1.226780 -0.798157 0.866038
C -1.651195 -2.011380 0.017964
C 2.328584 -1.946968 -0.450340
C 3.542478 -0.670163 1.224387
C 3.677029 -2.649391 -0.561199
C 1.096123 2.300179 -1.881706
C -1.696771 2.860181 0.507945
C -4.106235 -2.083182 0.214117
C 1.456310 3.762374 -1.905893
C -1.839610 3.871891 1.620037
C -5.383720 -1.819901 -0.549641
H 0.513758 -0.062724 -1.293361
H -1.775131 0.602269 -0.781060
H 1.409188 0.603498 1.588769
H -1.916564 -0.664771 1.715684
H -0.974968 -2.177760 -0.831874
H -1.694054 -2.905934 0.661700
H 3.564194 -3.715839 -0.311063
H 4.067585 -2.550746 -1.586010
H 2.123148 4.020266 -1.068180
H 1.923976 4.017956 -2.867928
H 0.525096 4.348646 -1.795666
H -2.385819 3.439697 2.474020
H -2.358460 4.766350 1.246140
H -0.836201 4.160268 1.982363
H -5.463895 -2.523995 -1.396755
H -6.248625 -1.950701 0.116167
H -5.378395 -0.800897 -0.971653


