%chk=000231102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231102

0 1
O 1.174240 0.906692 2.078829
O -0.872818 0.246995 -1.690790
O 3.263912 2.520112 0.849802
O -3.178523 2.040233 -1.509761
O 0.350207 -3.796529 -0.650610
N -0.746422 -2.932644 -0.661678
C 0.534991 -1.645327 1.076935
C 1.570283 -0.778640 0.419304
C -0.626091 -1.923387 0.152433
C -1.761448 -0.962496 0.202562
C 1.891270 0.479242 0.962649
C -1.865081 0.084717 -0.728462
C 2.246118 -1.210677 -0.731921
C 2.854912 1.296542 0.333275
C -2.729028 -1.096349 1.209009
C -2.928508 1.011042 -0.623779
C 3.221258 -0.409803 -1.330566
C 3.527936 0.850191 -0.810064
C -3.792146 -0.192707 1.287302
C -3.894294 0.866615 0.384592
C 1.998508 1.060928 3.268156
C -1.193448 -0.409989 -2.950636
C 2.203537 3.509933 0.954542
C -2.038619 2.858721 -1.887212
H 0.168086 -1.156300 2.011340
H 1.001117 -2.607767 1.392626
H 1.998422 -2.186492 -1.157101
H -2.653766 -1.913461 1.924792
H 3.743203 -0.766058 -2.217837
H 4.276883 1.489703 -1.272364
H -4.545910 -0.310860 2.065766
H -4.711585 1.584220 0.441221
H 2.828402 1.750180 3.073179
H 2.364733 0.081861 3.586571
H 1.288748 1.477808 3.989717
H -2.086872 0.042991 -3.389031
H -1.326593 -1.484829 -2.789449
H -0.297637 -0.207169 -3.546807
H 1.347496 3.108228 1.509977
H 1.910646 3.823688 -0.050806
H 2.696556 4.321244 1.499527
H -1.227982 2.243949 -2.296971
H -1.700549 3.422915 -1.014261
H -2.475046 3.514920 -2.647732
H 0.048401 -4.537488 -1.272869


%chk=000231102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231102

0 1
O 1.494953 0.241195 2.745245
O -1.803778 -0.706897 -2.594101
O 3.242192 2.478645 2.200943
O -3.553002 1.522817 -2.442460
O 0.115592 -3.862591 -0.742790
N -0.824451 -2.730367 -0.861520
C 0.842608 -1.689402 0.708767
C 1.755630 -0.502276 0.432509
C -0.417396 -1.690595 -0.154027
C -1.292107 -0.481053 -0.184018
C 2.077078 0.419643 1.461451
C -1.990250 -0.058496 -1.355204
C 2.318362 -0.307371 -0.854547
C 2.917921 1.537642 1.192286
C -1.435997 0.287809 1.005774
C -2.820250 1.099603 -1.309985
C 3.190766 0.771774 -1.108859
C 3.489619 1.699702 -0.085652
C -2.287807 1.409430 1.048843
C -2.986585 1.817826 -0.107869
C 2.467666 -0.055730 3.824171
C -2.914137 -1.602870 -2.990233
C 2.093769 3.282568 2.679851
C -2.735682 1.992199 -3.585885
H 0.553491 -1.680560 1.775555
H 1.377727 -2.635601 0.521376
H 2.066845 -1.013963 -1.653861
H -0.886738 -0.002446 1.906777
H 3.628263 0.900802 -2.104604
H 4.147769 2.557402 -0.257341
H -2.401728 1.969542 1.982912
H -3.651202 2.687613 -0.107362
H 3.206898 0.759586 3.915387
H 2.984786 -1.012104 3.618373
H 1.869776 -0.141622 4.744581
H -3.865439 -1.040842 -3.036050
H -2.978772 -2.441587 -2.275105
H -2.644404 -1.979128 -3.989431
H 1.299080 2.631500 3.086916
H 1.688556 3.895769 1.852617
H 2.500912 3.935510 3.467033
H -2.040761 1.202021 -3.918754
H -2.170611 2.900366 -3.300041
H -3.458835 2.236178 -4.379236
H -0.312831 -4.536943 -1.329033


