%chk=000085733.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085733

0 1
 S   0.2352000      -2.707800      -1.552400    
 S  -0.2617000      -2.801600       1.361400    
 N   6.6000000E-03 -0.4343000     -4.1499998E-02
 C    1.764800       1.314800     -0.2984000    
 C   -1.763500       1.339500      0.2777000    
 C   0.7874000      0.3352000     -0.9714000    
 C  -0.7632000      0.3693000      0.9302000    
 C    2.743000      0.6266000      0.6834000    
 C   -2.774300      0.6381000     -0.6607000    
 C    2.581800       2.143000      -1.317400    
 C   -2.545600       2.181400       1.312700    
 C    3.717000     -0.3878000      7.2800003E-02
 C   -3.726200     -0.3680000     -3.5999999E-03
 C    4.592500      -1.093200       1.108600    
 C   -4.636100      -1.087500     -0.9992000    
 C    1.728600       2.873600      -2.344900    
 C   -1.658400       2.926000       2.300500    
 C  -8.0000004E-03  -1.857600     -1.3600000E-02
 C    5.606100      -2.012300      0.4440000    
 C   -5.625900      -1.997600     -0.2880000    
 H    1.191100       2.047700      0.2822000    
 H   -1.205200       2.057500     -0.3362000    
 H    1.368200     -0.3175000      -1.628100    
 H   9.2000000E-02  0.8620000      -1.631000    
 H  -5.0500002E-02  0.8947000       1.570700    
 H   -1.320300     -0.2855000       1.605200    
 H    2.173500      0.1287000       1.477000    
 H    3.329400       1.404400       1.190900    
 H   -3.377100       1.408300      -1.160300    
 H   -2.227800      0.1294000      -1.464100    
 H    3.274600       1.501500      -1.872000    
 H    3.189900       2.879300     -0.7776000    
 H   -3.171900       2.910300      0.7838000    
 H   -3.219000       1.547600       1.899100    
 H    4.375100      0.1183000     -0.6416000    
 H    3.162400      -1.147700     -0.4877000    
 H   -4.360400      0.1486000      0.7248000    
 H   -3.154400      -1.119900      0.5492000    
 H    5.124900     -0.3498000       1.713000    
 H    3.963000      -1.676500       1.790400    
 H   -4.029800      -1.679900      -1.694000    
 H   -5.189200     -0.3525000      -1.595300    
 H    1.251900       2.178500      -3.042300    
 H   0.9516000       3.471400      -1.858300    
 H    2.354400       3.549900      -2.936700    
 H  -0.8981000       3.516400       1.779600    
 H   -2.263800       3.610800       2.903400    
 H   -1.158700       2.240600       2.991300    
 H    6.273900      -1.449400     -0.2161000    
 H    6.218800      -2.510700       1.201600    
 H    5.105300      -2.783800     -0.1496000    
 H   -6.263900      -2.506400      -1.017400    
 H   -5.104800      -2.761000      0.2985000    
 H   -6.271100      -1.425900      0.3868000    
 H   0.1377000      -3.952200      -1.062500    


%chk=000085733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085733

0 1
S 0.872293 -2.679171 -1.320893
S -0.952133 -2.774560 1.165843
N -0.020650 -0.451759 0.000272
C 1.844880 1.274763 -0.271816
C -1.847205 1.315572 0.259481
C 0.820684 0.323259 -0.955586
C -0.832366 0.362509 0.952439
C 2.812691 0.520907 0.682569
C -2.836626 0.556942 -0.668843
C 2.600381 2.100903 -1.351191
C -2.582616 2.166858 1.333568
C 3.833969 -0.425894 0.006610
C -3.847254 -0.377660 0.038110
C 4.690401 -1.192110 1.040988
C -4.717227 -1.164487 -0.968885
C 1.739534 3.176838 -2.051492
C -1.702606 3.242172 2.010515
C -0.086478 -1.819791 0.034395
C 5.720254 -2.136742 0.384741
C -5.739195 -2.093115 -0.278229
H 1.275990 2.004631 0.343219
H -1.280284 2.031392 -0.376096
H 1.367852 -0.377499 -1.606400
H 0.148131 0.907432 -1.611104
H -0.136238 0.943944 1.584723
H -1.361235 -0.346871 1.609547
H 2.216954 -0.065461 1.412310
H 3.369290 1.278078 1.273021
H -3.399343 1.310271 -1.259068
H -2.257752 -0.042766 -1.401723
H 3.033977 1.420721 -2.111585
H 3.460334 2.597077 -0.858230
H -3.442091 2.665857 0.842195
H -3.014586 1.501210 2.107104
H 4.505758 0.152595 -0.659026
H 3.308714 -1.164835 -0.630721
H -4.510507 0.212621 0.702201
H -3.307231 -1.102309 0.679088
H 5.215168 -0.464400 1.694166
H 4.019096 -1.776971 1.701994
H -4.053846 -1.767110 -1.622096
H -5.248922 -0.451892 -1.633499
H 0.905723 2.735867 -2.628459
H 1.305246 3.878344 -1.313787
H 2.348111 3.769252 -2.758809
H -1.263168 3.925888 1.258866
H -2.298064 3.854644 2.712050
H -0.871972 2.797979 2.589602
H 6.421588 -1.574417 -0.260779
H 6.317486 -2.675047 1.143558
H 5.215473 -2.891949 -0.246522
H -6.347489 -2.647942 -1.016314
H -5.224879 -2.833372 0.362574
H -6.430872 -1.515424 0.364358
H 0.514659 -3.927970 -0.852059


