%chk=000251141.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251141

0 1
S 2.767825 -1.570264 0.063271
N -0.056415 -0.766202 0.041788
N -1.100368 1.885283 0.057289
C -1.427268 -0.543905 0.030031
C 0.748547 0.301869 0.060501
C -1.953664 0.785546 0.037715
C 2.178094 0.069464 0.072582
C 0.202737 1.653296 0.068332
C -2.325710 -1.658477 0.009956
C -3.370166 0.984918 0.025182
C 3.227203 0.952189 0.091251
C -3.678726 -1.432520 -0.001641
C -4.204190 -0.104429 0.005991
C 4.508510 0.298607 0.097905
C 4.421668 -1.064323 0.084444
H 0.878470 2.516687 0.083768
H -1.903010 -2.664668 0.004423
H -3.749846 2.008262 0.031304
H 3.136446 2.029451 0.100282
H -4.380007 -2.267711 -0.016980
H -5.286687 0.025636 -0.003798
H 5.433257 0.859756 0.112326
H 5.228201 -1.778365 0.085778


%chk=000251141-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251141

0 1
S 2.804211 -1.659091 0.062332
N -0.074338 -0.796703 0.042093
N -1.106634 1.890054 0.057129
C -1.439443 -0.558630 0.030272
C 0.748898 0.282920 0.060765
C -1.967151 0.791888 0.037676
C 2.186958 0.046477 0.072919
C 0.207576 1.630659 0.068194
C -2.346351 -1.663158 0.010219
C -3.376984 1.002809 0.024912
C 3.246019 0.957704 0.091940
C -3.725382 -1.430778 -0.002056
C -4.243981 -0.095538 0.005287
C 4.543322 0.341242 0.098536
C 4.485507 -1.046659 0.084552
H 0.876801 2.497318 0.083507
H -1.926639 -2.673729 0.004826
H -3.743051 2.034237 0.030975
H 3.105033 2.041408 0.100956
H -4.421201 -2.276742 -0.017528
H -5.327948 0.061162 -0.004611
H 5.480508 0.902416 0.113096
H 5.309172 -1.759166 0.085710


