%chk=000277214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277214

0 1
S 3.084219 0.076703 0.467509
O -1.115967 2.714030 0.791501
O -1.079828 -1.199074 -1.876609
N 0.774804 1.449100 0.585319
N 0.781194 -0.600269 -0.678912
C -1.421063 0.582362 -0.296038
C -2.318222 -0.105003 0.757862
C -3.442130 -0.918908 0.106460
C -0.632014 1.681223 0.389100
C -4.262527 -1.674350 1.160564
C -0.594437 -0.482400 -1.039995
C 1.379089 0.290225 0.067488
C -5.389641 -2.479251 0.518197
C 1.575268 2.463522 1.315468
C 3.528270 -1.489198 -0.357157
C 5.016882 -1.480080 -0.348255
C 5.746930 -2.102180 0.576955
H -2.087948 1.080806 -1.055883
H -2.757926 0.670034 1.421620
H -1.699720 -0.755374 1.407810
H -4.104056 -0.253901 -0.481512
H -3.019635 -1.636692 -0.630251
H -4.684924 -0.961496 1.895764
H -3.603397 -2.352920 1.737448
H -5.002627 -3.216212 -0.196019
H -6.088825 -1.834460 -0.026552
H -5.966495 -3.025770 1.272621
H 2.392530 2.855173 0.685199
H 1.995167 2.041362 2.245042
H 0.928439 3.320673 1.596586
H 3.078334 -2.345765 0.184494
H 3.103767 -1.530733 -1.385303
H 5.481547 -0.925450 -1.168906
H 6.828874 -2.099335 0.574522
H 5.328272 -2.661992 1.402564


%chk=000277214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277214

0 1
S 2.875290 -0.020022 1.189542
O -1.107258 3.006933 0.374368
O -0.793392 -0.945910 -2.173811
N 0.714793 1.564441 0.654296
N 0.781935 -0.569116 -0.488922
C -1.357525 0.725102 -0.476247
C -2.254932 0.033222 0.620633
C -3.275730 -0.956960 0.021364
C -0.600643 1.871432 0.183789
C -4.117178 -1.653290 1.116070
C -0.448585 -0.312373 -1.144442
C 1.283978 0.314269 0.345895
C -5.161062 -2.626228 0.526719
C 1.447268 2.593866 1.429001
C 3.313667 -1.720306 0.405723
C 4.592616 -1.628652 -0.372849
C 5.731175 -2.292477 -0.045333
H -2.034673 1.157110 -1.232727
H -2.792655 0.837095 1.159975
H -1.608868 -0.486445 1.356142
H -3.950757 -0.412036 -0.669506
H -2.758451 -1.721041 -0.589413
H -4.630987 -0.887108 1.732104
H -3.441633 -2.204759 1.801697
H -4.672060 -3.414304 -0.075767
H -5.871559 -2.093416 -0.132587
H -5.745512 -3.121664 1.323452
H 2.393735 2.855729 0.927664
H 1.660449 2.232445 2.449623
H 0.796821 3.479988 1.480708
H 3.368562 -2.432320 1.243324
H 2.430426 -1.926995 -0.229859
H 4.563621 -0.997336 -1.271326
H 6.630601 -2.224821 -0.666525
H 5.790726 -2.929655 0.845925


