%chk=000173314.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173314

0 1
 S   -1.734500       1.441900      0.6677000    
 S    4.661300       2.161000      -1.315400    
 O    3.043000      -1.748000     -0.4154000    
 N   -1.755100     -0.9071000     -0.3973000    
 N    3.454600      0.7564000      0.7491000    
 C   -3.998900      8.7300003E-02 -0.1165000    
 C   -2.523900      8.2800001E-02 -7.1999999E-03
 C   -4.535100      -1.236100     -0.7561000    
 C   -4.509000       1.268300      -1.007200    
 C   -4.784300      0.2311000       1.235500    
 C  -0.4272000     -0.5884000     -0.1527000    
 C  -0.2140000      0.6644000      0.4306000    
 C   0.6907000      -1.402600     -0.4368000    
 C    1.074600       1.129400      0.7384000    
 C    1.976400     -0.9459000     -0.1329000    
 C    2.163600      0.3040000      0.4470000    
 C    3.461200      -2.650600      0.6054000    
 C    3.956700       1.352200     -0.1363000    
 H   -5.626300      -1.222000     -0.8573000    
 H   -4.111300      -1.386800      -1.756100    
 H   -4.264800      -2.105100     -0.1446000    
 H   -4.025400       1.247900      -1.991000    
 H   -5.591700       1.206000      -1.167200    
 H   -4.301900       2.244200     -0.5543000    
 H   -5.868000      0.1782000       1.080700    
 H   -4.499700     -0.5686000       1.929200    
 H   -4.565100       1.185400       1.727000    
 H   0.5477000      -2.379600     -0.8908000    
 H    1.216800       2.105600       1.193700    
 H    4.328300      -3.206000      0.2374000    
 H    2.662900      -3.362800      0.8377000    
 H    3.753000      -2.106400       1.509100    


%chk=000173314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173314

0 1
S -1.833725 1.616904 0.563025
S 6.081627 1.661826 0.552811
O 2.916138 -1.843404 -0.705403
N -1.904380 -0.909042 -0.396703
N 3.400898 0.765076 0.311542
C -4.233483 0.049894 -0.104344
C -2.715715 0.063537 -0.050288
C -4.715106 -1.335552 -0.608778
C -4.722588 1.162286 -1.080668
C -4.806111 0.319768 1.319559
C -0.544586 -0.583113 -0.236790
C -0.286431 0.735048 0.268824
C 0.534824 -1.445143 -0.531821
C 1.023644 1.196951 0.467731
C 1.851968 -1.003264 -0.330949
C 2.104708 0.327401 0.161172
C 3.681808 -2.450038 0.405479
C 4.541141 1.150097 0.406337
H -5.819674 -1.343923 -0.649242
H -4.318761 -1.550524 -1.615376
H -4.376557 -2.142934 0.062411
H -4.327220 0.996881 -2.098506
H -5.826773 1.147524 -1.128964
H -4.405529 2.166361 -0.745485
H -5.910444 0.294690 1.281226
H -4.465600 -0.448505 2.036278
H -4.498418 1.309782 1.702323
H 0.352861 -2.448210 -0.924945
H 1.238192 2.203051 0.836982
H 4.464648 -3.052765 -0.077744
H 3.024848 -3.099481 1.015320
H 4.148394 -1.681079 1.048386


