%chk=000052736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052736

0 1
 S   -4.912400      -1.834700     -0.6619000    
 S    4.910200      -1.835400      0.6619000    
 O  -7.9999998E-04   2.459800      3.0000001E-04
 N   -7.523400      -2.757500      9.9999998E-03
 N    7.521100      -2.758500     -9.8999999E-03
 C   -3.532700      0.3132000      0.3841000    
 C    3.530800      0.3127000     -0.3839000    
 C   -1.158700       1.755800      0.1265000    
 C    1.177300       1.743300     -0.1284000    
 C   -3.470700       1.405300     -0.4812000    
 C    3.469000       1.404900      0.4815000    
 C   -2.407600     -5.7700001E-02   1.120700    
 C    2.405700     -5.7900000E-02  -1.120500    
 C   -2.283800       2.126500     -0.6101000    
 C    2.282100       2.126200      0.6106000    
 C   -1.220700      0.6635000      0.9920000    
 C    1.218800      0.6635000     -0.9917000    
 C   -4.801400     -0.4580000      0.5217000    
 C    4.799400     -0.4586000     -0.5216000    
 C   -6.460900      -2.377800     -0.2595000    
 C    6.458600      -2.378700      0.2595000    
 H   -4.339400       1.704300      -1.062000    
 H    4.337700       1.703700       1.062300    
 H   -2.443800     -0.9042000       1.801500    
 H    2.441800     -0.9043000      -1.801600    
 H   -2.241200       2.975900      -1.286400    
 H    2.235000       2.975700       1.285200    
 H  -0.3673000      0.3659000       1.595600    
 H   0.3640000      0.3693000      -1.593600    
 H   -4.890000     -0.8538000       1.540800    
 H   -5.658800      0.2112000      0.3778000    
 H    4.887900     -0.8543000      -1.540700    
 H    5.656900      0.2105000     -0.3776000    


%chk=000052736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052736

0 1
S -5.480097 -1.493164 -0.876419
S 5.480366 -1.493281 0.875719
O -0.000046 2.178567 0.002268
N -8.156715 -2.475547 -0.154018
N 8.156120 -2.476394 0.151122
C -3.790866 0.334523 0.465520
C 3.789526 0.333239 -0.465815
C -1.228171 1.487666 0.132270
C 1.227421 1.487360 -0.129738
C -3.633230 1.560399 -0.235033
C 3.633218 1.560034 0.233476
C -2.636317 -0.297790 0.998402
C 2.633945 -0.299411 -0.996009
C -2.361238 2.140571 -0.401878
C 2.361653 2.140627 0.401682
C -1.356225 0.269755 0.841626
C 1.354205 0.268543 -0.837800
C -5.148348 -0.279416 0.637224
C 5.146563 -0.281214 -0.638882
C -7.064504 -2.064277 -0.434449
C 7.064237 -2.064844 0.432429
H -4.513274 2.062027 -0.653376
H 4.514019 2.062031 0.649787
H -2.740453 -1.239282 1.550074
H 2.736928 -1.241611 -1.546700
H -2.227869 3.087420 -0.932518
H 2.229372 3.088141 0.931424
H -0.477668 -0.215745 1.276696
H 0.474961 -0.217457 -1.270921
H -5.233455 -0.911944 1.532768
H -5.967380 0.453539 0.601031
H 5.230184 -0.914839 -1.533789
H 5.965838 0.451574 -0.604772


