%chk=000269714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269714

0 1
S 3.809890 -0.170281 -0.583779
S -3.810127 -0.170848 0.583997
N 1.445652 0.704258 0.039872
N -1.445854 0.704362 -0.038668
C 0.662878 -0.525804 0.392439
C 0.661702 1.933102 0.397085
C -0.663126 -0.525378 -0.392486
C -0.661843 1.933543 -0.394610
C 2.781899 0.704854 0.670903
C -2.782112 0.705668 -0.669699
C 5.276775 -0.618159 0.412831
C -5.276954 -0.617707 -0.413155
C 6.231083 -1.316493 -0.533392
C -6.231277 -1.317092 0.532279
H 0.452326 -0.604560 1.481530
H 1.259640 -1.418143 0.099607
H 1.256494 2.826744 0.110803
H 0.444435 2.003933 1.485429
H -0.452573 -0.603039 -1.481656
H -1.259918 -1.417996 -0.100563
H -1.256587 2.826921 -0.107405
H -0.444568 2.005492 -1.482880
H 2.849653 0.189104 1.647896
H 3.175446 1.733165 0.799150
H -2.849878 0.191017 -1.647271
H -3.175651 1.734128 -0.796791
H 5.731652 0.289341 0.847801
H 4.981904 -1.277493 1.248356
H -5.731846 0.290244 -0.847167
H -4.982026 -1.276132 -1.249376
H 5.790980 -2.223609 -0.971289
H 6.533663 -0.668913 -1.368737
H 7.148866 -1.621935 -0.013355
H -5.791160 -2.224662 0.969220
H -6.533915 -0.670421 1.368306
H -7.149026 -1.622009 0.011874


%chk=000269714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269714

0 1
S 3.845309 -0.035972 -0.867312
S -3.845708 -0.036528 0.867659
N 1.431472 1.070412 -0.013658
N -1.431776 1.070552 0.015143
C 0.691893 -0.161709 0.333452
C 0.687514 2.298293 0.347888
C -0.692330 -0.161277 -0.333273
C -0.687692 2.298737 -0.345103
C 2.835716 1.056796 0.351555
C -2.836029 1.057439 -0.350056
C 4.967348 -0.937391 0.373594
C -4.967469 -0.937005 -0.374186
C 5.808457 -1.983027 -0.374494
C -5.808417 -1.983509 0.372875
H 0.561247 -0.255023 1.440194
H 1.280058 -1.025637 -0.026259
H 1.267291 3.179427 0.014430
H 0.527511 2.378868 1.451349
H -0.561698 -0.253432 -1.440114
H -1.280586 -1.025522 0.025529
H -1.267376 3.179579 -0.010709
H -0.527683 2.380469 -1.448478
H 3.046740 0.632763 1.362105
H 3.238505 2.081498 0.300379
H -3.047106 0.634492 -1.361049
H -3.238729 2.082120 -0.297783
H 5.613701 -0.192162 0.868594
H 4.321952 -1.414068 1.133325
H -5.613936 -0.191442 -0.868532
H -4.321930 -1.412848 -1.134318
H 5.163872 -2.728041 -0.874043
H 6.443004 -1.507779 -1.143711
H 6.470374 -2.517973 0.331832
H -5.163712 -2.728882 0.871733
H -6.443073 -1.509110 1.142525
H -6.470216 -2.517903 -0.333982


