%chk=000170795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170795

0 1
 S   0.1197000       1.813200      0.7574000    
 O   6.8300001E-02   1.201400       2.077600    
 O  -0.6353000       3.030900      0.4952000    
 N    2.641100      -4.172500      3.1199999E-02
 N   -6.066400     -3.6100000E-02 -6.3800000E-02
 C  -0.4224000      0.6024000     -0.4275000    
 C   0.3912000     -0.6658000     -0.3056000    
 C   -1.920400      0.4331000     -0.3309000    
 C    1.796500       2.090100      0.3579000    
 C    1.259100      -1.013900      -1.326900    
 C   -2.659000      0.2592000      -1.489800    
 C   0.2519000      -1.453800      0.8247000    
 C   -2.526600      0.4549000      0.9146000    
 C    1.881400      -2.989400     -8.2800001E-02
 C   -4.667700      0.1226000     -0.1541000    
 C    2.140800       3.085600     -0.5567000    
 C    2.792200       1.316100      0.9536000    
 C    2.009700      -2.184300      -1.214800    
 C   -4.042400      0.1030000      -1.400800    
 C    1.002600      -2.624000      0.9368000    
 C   -3.909800      0.2986000       1.003500    
 C    3.480600       3.306900     -0.8754000    
 C    4.132000       1.537400      0.6350000    
 C    4.476300       2.532700     -0.2796000    
 C    5.908900       2.770100     -0.6192000    
 C    3.030200      -4.911500      -1.153200    
 C    3.054100      -4.656600       1.333400    
 C   -6.926700      0.4120000      -1.140500    
 C   -6.660000     -0.6624000       1.100700    
 H  -0.2134000       1.079400      -1.396500    
 H    1.370700     -0.3936000      -2.211500    
 H   -2.181100      0.2374000      -2.465000    
 H  -0.4324000      -1.216800       1.630400    
 H   -2.016200      0.5456000       1.860000    
 H    1.381000       3.695600      -1.037000    
 H    2.551500      0.5375000       1.671600    
 H    2.694100      -2.433300      -2.020700    
 H   -4.601500     -4.4799998E-02  -2.320400    
 H   0.8685000      -3.236700       1.823900    
 H   -4.367400      0.3215000       1.988600    
 H    3.736300       4.085600      -1.589100    
 H    4.898700      0.9291000       1.107600    
 H    6.490100       1.844400     -0.5489000    
 H    6.016200       3.138200      -1.645200    
 H    6.339800       3.507800      6.4900003E-02
 H    3.898800      -4.447600      -1.632200    
 H    2.209600      -4.970800      -1.877200    
 H    3.303600      -5.942800     -0.9029000    
 H    3.889800      -5.360100       1.246900    
 H    2.232000      -5.182000       1.830600    
 H    3.397200      -3.837400       1.975400    
 H   -7.959600      0.5349000     -0.7954000    
 H   -6.937200     -0.3166000      -1.957900    
 H   -6.607800       1.385200      -1.530800    
 H   -6.086100      -1.539200       1.421100    
 H   -7.676200      -1.012400      0.8866000    
 H   -6.725100      4.7400001E-02   1.932200    


%chk=000170795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170795

0 1
S -0.114198 1.786635 -0.183318
O -0.503813 1.602823 1.427970
O -0.705166 3.100346 -1.015387
N 3.222785 -4.105108 0.185858
N -6.325977 0.436006 0.417331
C -0.926858 -0.420670 -1.294158
C 0.085416 -1.372556 -0.870145
C -2.284277 -0.262297 -0.820683
C 1.773671 2.075175 -0.151733
C 1.374924 -1.324666 -1.494013
C -3.262422 0.283071 -1.713827
C -0.112509 -2.402827 0.103028
C -2.702085 -0.489089 0.532380
C 2.201738 -3.224381 -0.165207
C -5.010034 0.219575 0.016223
C 2.347564 2.868189 -1.159972
C 2.535456 1.507256 0.883425
C 2.403072 -2.208891 -1.160103
C -4.586167 0.501464 -1.326563
C 0.905272 -3.302037 0.444350
C -4.021028 -0.263155 0.936746
C 3.743363 3.090201 -1.129021
C 3.929538 1.739491 0.897163
C 4.552313 2.529982 -0.105190
C 6.045285 2.809412 -0.056571
C 4.534826 -4.015458 -0.471742
C 2.992353 -5.132391 1.211934
C -7.302246 1.005589 -0.523664
C -6.718702 0.212639 1.817098
H -0.727730 0.049991 -2.268378
H 1.566603 -0.551801 -2.249041
H -2.960534 0.532919 -2.738048
H -1.094171 -2.527050 0.567659
H -1.961912 -0.756077 1.290088
H 1.704080 3.326542 -1.919242
H 2.037733 0.927008 1.667671
H 3.368442 -2.109794 -1.663337
H -5.289216 0.915960 -2.053706
H 0.691052 -4.079786 1.182639
H -4.276351 -0.410894 1.989335
H 4.208276 3.714483 -1.902228
H 4.540098 1.309915 1.701274
H 6.599367 1.980378 0.418439
H 6.462683 2.967267 -1.066833
H 6.256337 3.723736 0.531737
H 5.004800 -3.024633 -0.311927
H 4.458790 -4.186946 -1.564233
H 5.206599 -4.781110 -0.053933
H 3.917708 -5.707925 1.368573
H 2.195226 -5.842217 0.912025
H 2.702690 -4.681099 2.181646
H -8.287209 1.066862 -0.035551
H -7.409150 0.372461 -1.425957
H -7.015936 2.025790 -0.850177
H -6.523144 -0.831988 2.128285
H -7.797367 0.403128 1.929077
H -6.176058 0.885953 2.511036


