%chk=000241670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241670

0 1
S -1.153267 1.452683 0.120220
N 3.249955 -1.001382 -0.178961
N 1.218814 0.206896 -0.039417
N 1.199559 2.642025 0.072169
C 4.730052 -1.094210 -0.279733
C 2.487289 -2.280835 -0.200318
C 2.610846 0.219243 -0.097577
C 5.384459 -1.090126 1.100563
C 2.135824 -2.695010 -1.627650
C 3.310908 1.462904 -0.067106
C 0.603804 1.412988 0.043406
C -1.617979 -0.310159 0.067512
C -3.109083 -0.295755 0.104292
C 2.562474 2.635977 0.015628
C -3.845045 -0.241959 -1.090842
C -3.786077 -0.336836 1.334246
C -5.241551 -0.234613 -1.052981
C -5.182800 -0.329215 1.364871
C -5.912969 -0.279580 0.173088
H 4.991737 -2.026706 -0.830207
H 5.119654 -0.250658 -0.896281
H 3.097039 -3.064504 0.300628
H 1.553811 -2.163891 0.402656
H 5.137953 -0.180150 1.664331
H 5.053920 -1.938412 1.712207
H 6.476055 -1.144258 1.020705
H 1.503283 -1.936187 -2.111305
H 3.023543 -2.824608 -2.255274
H 1.578250 -3.638240 -1.636644
H 4.391830 1.500999 -0.103842
H -1.166051 -0.854105 0.920699
H -1.208754 -0.791320 -0.843406
H 3.044919 3.621064 0.040498
H -3.327840 -0.198779 -2.048171
H -3.223070 -0.367809 2.265870
H -5.807976 -0.191011 -1.981850
H -5.703359 -0.359401 2.320722
H -7.000559 -0.273060 0.199756


%chk=000241670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241670

0 1
S -1.097347 1.708828 0.244706
N 3.218958 -0.979282 -0.174428
N 1.280616 0.344956 0.023839
N 1.356103 2.783677 0.101242
C 4.674146 -1.164691 -0.350836
C 2.368475 -2.192778 -0.129014
C 2.655818 0.278159 -0.076650
C 5.458301 -1.167063 0.981554
C 1.893890 -2.642252 -1.527810
C 3.427427 1.489117 -0.076123
C 0.717980 1.575234 0.109960
C -1.583040 -0.145220 0.233935
C -3.085638 -0.270687 0.160597
C 2.720601 2.699790 0.008329
C -3.749004 -0.274435 -1.094421
C -3.861752 -0.388131 1.342655
C -5.153754 -0.399540 -1.166889
C -5.267494 -0.513276 1.273549
C -5.917834 -0.520245 0.017774
H 4.824134 -2.127955 -0.872158
H 5.067125 -0.382673 -1.026992
H 2.953723 -2.996395 0.357466
H 1.493436 -1.971999 0.503095
H 5.340026 -0.208130 1.515451
H 5.098207 -1.971862 1.647054
H 6.535761 -1.330539 0.795319
H 1.269382 -1.856571 -1.986074
H 2.747776 -2.845786 -2.199999
H 1.291597 -3.566296 -1.450534
H 4.517115 1.493618 -0.126754
H -1.165118 -0.585546 1.152447
H -1.072270 -0.587481 -0.635001
H 3.254935 3.656499 0.008113
H -3.159282 -0.174792 -2.013643
H -3.360321 -0.379197 2.318056
H -5.651961 -0.402687 -2.142939
H -5.853178 -0.604759 2.195188
H -7.007938 -0.617613 -0.037562


