%chk=000248343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248343

0 1
S 0.086124 -1.875078 1.134818
O 2.083175 1.315072 -2.155194
N 2.616292 -1.065793 1.102638
N 1.206971 -0.147792 -0.615686
C -5.225531 0.917701 0.146812
C -3.881698 0.215928 0.371482
C -5.795464 0.601536 -1.248820
C -6.260331 0.468302 1.196753
C -4.972412 2.432314 0.273925
C -3.446420 -0.081750 1.676596
C -3.038090 -0.090382 -0.707150
C -2.208525 -0.684817 1.899366
C -1.799933 -0.706606 -0.500551
C -1.402179 -1.005853 0.802647
C 3.755214 -0.385862 0.601890
C 1.389486 -0.895505 0.432788
C 3.609178 0.449406 -0.528767
C 5.011557 -0.540565 1.229563
C 2.285775 0.613023 -1.192970
C 4.738030 1.128587 -1.023154
C 6.106283 0.144421 0.716473
C 5.975391 0.979303 -0.408198
H -6.778265 1.064752 -1.388207
H -5.149975 0.977459 -2.050706
H -5.917225 -0.477050 -1.396291
H -5.968013 0.755983 2.212230
H -7.238687 0.922325 1.005344
H -6.394524 -0.618774 1.183170
H -5.892505 3.004461 0.118603
H -4.582786 2.694587 1.263331
H -4.240197 2.778936 -0.464705
H -4.075808 0.169028 2.530447
H -3.334978 0.158845 -1.726831
H -1.882634 -0.897128 2.918022
H -1.146929 -0.924126 -1.352481
H 2.700223 -1.655623 1.929571
H 5.121278 -1.183908 2.098352
H 4.616019 1.773997 -1.899953
H 7.083256 0.034600 1.191267
H 6.846357 1.506345 -0.793223


%chk=000248343-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248343

0 1
S 0.166670 -1.739624 1.570415
O 2.026640 1.281412 -2.141383
N 2.721733 -0.940133 1.230796
N 1.211818 -0.095987 -0.424154
C -5.277554 0.922154 0.092352
C -3.910738 0.272603 0.413291
C -5.579372 0.940928 -1.427962
C -6.410266 0.123337 0.805643
C -5.278155 2.393075 0.609471
C -3.485028 0.153763 1.765611
C -3.037254 -0.213923 -0.592776
C -2.241510 -0.419477 2.100916
C -1.794866 -0.808825 -0.276432
C -1.401576 -0.904149 1.072711
C 3.852452 -0.374208 0.610023
C 1.463805 -0.782229 0.661665
C 3.645471 0.393454 -0.574033
C 5.153830 -0.549037 1.145378
C 2.263344 0.581542 -1.118216
C 4.766049 0.977052 -1.215970
C 6.249150 0.042568 0.490228
C 6.060257 0.806509 -0.692822
H -6.566653 1.406260 -1.602991
H -4.829243 1.528843 -1.988117
H -5.611159 -0.079673 -1.852525
H -6.270529 0.103303 1.901335
H -7.392523 0.588040 0.598161
H -6.438965 -0.922315 0.448271
H -6.250220 2.873672 0.390308
H -5.113358 2.443528 1.700882
H -4.481359 2.981813 0.119529
H -4.124688 0.521125 2.576110
H -3.315597 -0.136859 -1.647222
H -1.925653 -0.484831 3.147300
H -1.132944 -1.163553 -1.069275
H 2.823330 -1.441677 2.116420
H 5.302815 -1.140881 2.056129
H 4.580736 1.561984 -2.122832
H 7.256701 -0.090334 0.898928
H 6.921913 1.261050 -1.191960


