%chk=000091769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091769

0 1
 S    1.840400      0.8742000       2.385600    
 O   0.3357000      -3.032500     -0.6719000    
 N   -3.451100      0.3651000     -0.2182000    
 N    1.922800      -1.773000       2.201200    
 N    2.670500     -0.4934000      0.3627000    
 C   -2.477400       1.251100      0.4351000    
 C   -4.825400      0.8450000     -1.5900001E-02
 C   -2.742500       1.349000       1.938200    
 C   -5.167200      0.9295000       1.472500    
 C   -4.169200       1.805300       2.221500    
 C   -3.156000      0.2448000      -1.645700    
 C   -1.783400     -0.3241000      -1.888700    
 C   -1.361000      -1.425400      -1.157500    
 C  -0.9604000      0.2609000      -2.840700    
 C  -8.9500003E-02  -1.952700      -1.383100    
 C   0.3111000     -0.2664000      -3.066100    
 C   0.7466000      -1.373100      -2.337300    
 C  -0.1824000      -3.185300      0.6486000    
 C   0.8704000      -3.870000       1.512300    
 C    2.164000      -3.070700       1.616700    
 C    2.177200     -0.5891000       1.572100    
 C    2.399300       1.750800       1.010000    
 C    2.804300      0.8453000      2.4599999E-02
 C    2.474000       3.139600      0.8168000    
 C    3.301300       1.350400      -1.196500    
 C    2.969600       3.613000     -0.4007000    
 C    3.378400       2.731800      -1.395600    
 H   -2.512200       2.256700     -5.5999998E-03
 H   -1.448600      0.8918000      0.3276000    
 H   -5.533500      0.1539000     -0.4892000    
 H   -4.969100       1.828800     -0.4821000    
 H   -2.570500      0.3711000       2.406000    
 H   -2.034200       2.050100       2.394300    
 H   -5.167200     -7.8299999E-02   1.907100    
 H   -6.178900       1.331600       1.597900    
 H   -4.369500       1.768300       3.297800    
 H   -4.289200       2.849000       1.906200    
 H   -3.876300     -0.4327000      -2.122800    
 H   -3.259100       1.219700      -2.141200    
 H   -2.044700      -1.890600     -0.4536000    
 H   -1.287700       1.122800      -3.414900    
 H   0.9629000      0.1855000      -3.808100    
 H    1.738800      -1.778500      -2.516100    
 H  -0.4513000      -2.227200       1.110500    
 H   -1.077700      -3.815900      0.6023000    
 H   0.4554000      -4.040000       2.513000    
 H    1.108300      -4.851400       1.084400    
 H    2.645400      -2.999700      0.6343000    
 H    2.864300      -3.614600       2.261100    
 H    1.542000      -1.764500       3.143800    
 H    2.156300       3.833400       1.588900    
 H    3.623500      0.6711000      -1.980500    
 H    3.035500       4.684400     -0.5707000    
 H    3.760900       3.118300      -2.336300    


%chk=000091769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091769

0 1
S 2.397343 0.501242 3.412780
O 0.463138 -3.191914 -0.791273
N -3.120489 0.602462 -0.474690
N 2.446246 -2.133749 2.442032
N 2.169393 -0.366491 0.843774
C -2.051512 1.617334 -0.277103
C -4.436861 1.097133 0.001385
C -1.921058 2.002999 1.208890
C -4.381861 1.471272 1.496731
C -3.271143 2.514218 1.761050
C -3.180474 0.113421 -1.871866
C -1.968801 -0.726952 -2.270500
C -1.342231 -1.555701 -1.307696
C -1.489835 -0.713203 -3.600701
C -0.236535 -2.354873 -1.677120
C -0.393669 -1.532668 -3.966265
C 0.239303 -2.352457 -3.012612
C 0.051050 -3.196921 0.623491
C 1.118682 -4.000362 1.371855
C 2.468813 -3.249439 1.472025
C 2.325879 -0.818546 2.072254
C 2.182824 1.710882 2.064949
C 2.087845 1.037313 0.800143
C 2.109196 3.110209 2.168877
C 1.913550 1.804001 -0.375999
C 1.937014 3.860406 0.979490
C 1.840116 3.209927 -0.277728
H -2.268055 2.539207 -0.881268
H -1.097950 1.200852 -0.645361
H -5.189399 0.302465 -0.165647
H -4.766723 1.996944 -0.585089
H -1.599066 1.111236 1.781542
H -1.130333 2.768921 1.318882
H -4.175417 0.555867 2.085020
H -5.369080 1.859562 1.814551
H -3.194069 2.732274 2.843323
H -3.535895 3.467151 1.256585
H -4.095107 -0.508482 -1.961393
H -3.296005 0.952036 -2.606766
H -1.732297 -1.524705 -0.285760
H -1.966482 -0.065714 -4.346381
H -0.023651 -1.523033 -4.997861
H 1.097446 -2.980391 -3.271333
H -0.003701 -2.158487 1.004014
H -0.948427 -3.669189 0.715003
H 0.747607 -4.247911 2.385953
H 1.279240 -4.956024 0.836963
H 2.728267 -2.830544 0.486012
H 3.269190 -3.950927 1.773778
H 2.529627 -2.351054 3.434430
H 2.183863 3.615241 3.136919
H 1.837340 1.288923 -1.338475
H 1.880787 4.952712 1.036808
H 1.706068 3.806730 -1.186523


