%chk=000212327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212327

0 1
S 1.336228 -1.129262 1.242855
O -0.420325 -2.541989 1.049632
O -2.368627 -2.581601 -0.099722
O 2.531074 2.511822 0.649457
N -1.789501 2.664231 -0.276882
N 0.705841 1.192904 0.228418
C -2.017980 0.238785 -0.821265
C -2.606773 1.426547 -0.035117
C -1.022641 -0.562973 -0.031837
C 0.174094 -0.083210 0.384199
C -1.396128 -1.950742 0.245802
C 2.604254 0.178354 1.346178
C -1.994087 3.656970 0.820505
C -2.113286 3.279194 -1.598824
C 2.017713 1.421889 0.737853
C -0.533212 -3.970269 1.348495
C -0.040969 -4.777012 0.165873
H -2.852192 -0.425845 -1.144234
H -1.541108 0.588148 -1.762475
H -2.594220 1.190037 1.051904
H -3.674818 1.560910 -0.308563
H 0.120065 1.970147 -0.163783
H 3.524989 -0.130967 0.813163
H 2.896525 0.349505 2.400943
H -1.672599 3.211926 1.776362
H -3.028859 4.011467 0.934357
H -1.349439 4.533202 0.640460
H -3.142211 3.657735 -1.689442
H -1.950058 2.537538 -2.397773
H -1.421211 4.116743 -1.784263
H 0.113618 -4.055741 2.239653
H -1.587849 -4.182588 1.601577
H 0.030061 -5.843506 0.408320
H -0.721458 -4.677712 -0.693187
H 0.949291 -4.440235 -0.167840


%chk=000212327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212327

0 1
S 1.655361 -0.944105 1.245767
O -0.354257 -2.758891 1.029682
O -2.438604 -2.594112 -0.014192
O 2.079086 2.979968 0.552298
N -1.689569 2.623345 -0.193004
N 0.497566 1.266797 0.283617
C -2.037383 0.148304 -0.696726
C -2.608743 1.436495 -0.048558
C -0.992481 -0.647021 0.094505
C 0.219443 -0.084714 0.472919
C -1.351031 -2.048406 0.336621
C 2.657503 0.662970 1.198269
C -1.899182 3.645312 0.870563
C -1.748818 3.234571 -1.549823
C 1.742551 1.766323 0.649182
C -0.614898 -4.204146 1.284818
C -0.190940 -5.055236 0.083774
H -2.878764 -0.546113 -0.867895
H -1.634928 0.396515 -1.700703
H -2.771854 1.264024 1.030355
H -3.594979 1.675852 -0.502449
H -0.358999 1.954140 0.013054
H 3.532193 0.536421 0.540481
H 2.996653 0.925091 2.212388
H -1.756835 3.179882 1.860778
H -2.915988 4.090818 0.827167
H -1.150764 4.447702 0.755441
H -2.737735 3.702188 -1.746950
H -1.563629 2.466401 -2.318283
H -0.963716 4.004808 -1.636398
H -0.011593 -4.422987 2.180830
H -1.689198 -4.330947 1.506137
H -0.311651 -6.128396 0.323486
H -0.816797 -4.825433 -0.794681
H 0.867181 -4.873018 -0.171669


