%chk=000292049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292049

0 1
S -0.900583 -0.893093 0.081821
N 1.131146 0.867974 -0.098145
N 1.661779 -1.479551 0.221813
N 5.583353 0.296365 -1.267601
N 3.876632 -2.242474 0.246636
C 3.456235 0.188281 0.058217
C 2.465189 1.179140 -0.096680
C 4.923846 0.517735 0.047643
C 3.007441 -1.157724 0.198350
C -1.756410 0.703023 -0.132886
C -3.203186 0.340654 -0.115544
C 0.797646 -0.445995 0.062674
C 2.790502 2.625027 -0.266058
C -3.911541 0.318834 1.097108
C -3.865605 0.020310 -1.311925
C -5.267865 -0.015898 1.109049
C -5.222066 -0.313531 -1.292741
C -5.925657 -0.331512 -0.084156
H 5.096694 1.576863 0.348031
H 5.467320 -0.085213 0.811745
H -1.438670 1.190821 -1.076712
H -1.472346 1.408852 0.673847
H 3.468567 2.793654 -1.114585
H 1.885429 3.230620 -0.448789
H 3.269963 3.034973 0.635589
H -3.403524 0.558392 2.030138
H -3.321767 0.027204 -2.255475
H 5.178613 0.904680 -1.974347
H 5.429455 -0.656070 -1.590815
H 4.828716 -2.094335 0.543982
H 3.486013 -3.150752 0.471653
H -5.813111 -0.032315 2.051459
H -5.731591 -0.561981 -2.222470
H -6.982018 -0.592057 -0.072026


%chk=000292049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292049

0 1
S -0.849387 -1.140847 0.004384
N 1.130243 0.770477 -0.081363
N 1.794104 -1.551848 0.208096
N 5.661774 0.274050 -1.273586
N 4.025771 -2.185260 0.390113
C 3.506919 0.209897 0.083847
C 2.456049 1.149179 -0.057668
C 4.985617 0.582278 0.017216
C 3.106394 -1.163844 0.232308
C -1.767096 0.529098 -0.219731
C -3.255513 0.284579 -0.163133
C 0.878330 -0.560662 0.043914
C 2.710069 2.636813 -0.201710
C -3.940925 0.289307 1.079858
C -3.996279 0.045054 -1.349595
C -5.334331 0.065932 1.135853
C -5.390367 -0.178859 -1.297027
C -6.063864 -0.168641 -0.053411
H 5.114957 1.660065 0.207929
H 5.549970 0.073211 0.824790
H -1.436110 0.940797 -1.184921
H -1.405366 1.185472 0.585534
H 3.361269 2.861823 -1.066857
H 1.746617 3.148936 -0.344383
H 3.200559 3.055891 0.696680
H -3.376359 0.466405 2.003163
H -3.475681 0.033625 -2.314844
H 5.353797 0.885827 -2.037954
H 5.575216 -0.711642 -1.550259
H 5.009488 -2.003234 0.566505
H 3.657623 -3.126767 0.515764
H -5.850373 0.075050 2.102556
H -5.949291 -0.360024 -2.222044
H -7.145226 -0.341236 -0.011224


