%chk=000199227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199227

0 1
O 2.372333 -0.050552 -1.706138
N -2.790880 1.543421 -1.107020
C -2.797636 -0.638464 0.016636
C -2.413022 0.864337 0.173020
C -0.944461 1.064363 0.731271
C -4.072719 -0.871145 -0.829103
C -3.122410 -1.333951 1.360139
C -4.670841 -2.208085 -0.356791
C -4.046682 -2.516223 1.018352
C 0.091858 0.277989 -0.107419
C -0.572214 2.559802 0.730714
C -0.910941 0.589606 2.200388
C 1.492859 0.206436 0.506417
C 3.781991 -0.872616 0.055950
C 2.528615 -0.218863 -0.517056
C 4.803525 -1.261120 -1.034482
C 4.531026 0.069329 1.023140
C -1.897537 1.282282 -2.266618
C -3.063706 3.002788 -0.965895
C 6.203844 -0.936620 -0.483592
C 6.013941 -0.325748 0.917557
H -1.945897 -1.176101 -0.468241
H -3.097475 1.303751 0.950474
H -3.846540 -0.877885 -1.906301
H -4.791645 -0.045229 -0.679625
H -3.635175 -0.637300 2.045799
H -2.205415 -1.668463 1.874757
H -5.769063 -2.146279 -0.292523
H -4.447926 -3.014254 -1.075149
H -3.477963 -3.460430 0.983791
H -4.821843 -2.648403 1.789911
H -0.283908 -0.751044 -0.292002
H 0.175657 0.745033 -1.118026
H -0.538491 2.974673 -0.283395
H -1.286235 3.151255 1.312031
H 0.418052 2.720834 1.170899
H 0.005517 0.907709 2.706181
H -0.959870 -0.504828 2.272398
H -1.748127 0.997958 2.775344
H 1.497534 -0.470727 1.380921
H 1.785713 1.204100 0.900389
H 3.469959 -1.793956 0.603576
H 4.604895 -0.696471 -1.967696
H 4.708149 -2.325873 -1.300342
H 4.155106 -0.021383 2.053839
H 4.397868 1.125014 0.724871
H -2.310344 1.774186 -3.161295
H -0.851892 1.616180 -2.139155
H -1.884339 0.198474 -2.470384
H -2.174244 3.650296 -1.003250
H -3.600135 3.204076 -0.027122
H -3.733240 3.296630 -1.792911
H 6.725778 -0.228830 -1.150688
H 6.834164 -1.839894 -0.438516
H 6.276116 -1.060562 1.698673
H 6.673513 0.543178 1.072996


%chk=000199227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199227

0 1
O 2.183862 -1.574562 -0.695051
N -2.553959 1.803628 -0.895571
C -2.817919 -0.576764 -0.260331
C -2.393922 0.847744 0.227341
C -0.996555 0.931440 1.017778
C -4.213679 -0.550046 -0.964320
C -2.984969 -1.693576 0.810415
C -4.861837 -1.956715 -0.742249
C -3.818717 -2.771441 0.076872
C 0.095427 0.073240 0.304110
C -0.563693 2.422663 1.074758
C -1.191069 0.457475 2.488229
C 1.507609 0.136828 0.916518
C 3.992670 -0.585316 0.619084
C 2.525557 -0.759916 0.205647
C 4.895118 -1.832664 0.347449
C 4.651112 0.588152 -0.200030
C -1.770289 1.680661 -2.121086
C -3.142151 3.121543 -0.670154
C 6.094011 -1.332198 -0.514593
C 6.146296 0.194942 -0.261452
H -2.069522 -0.946521 -0.991348
H -3.161329 1.158098 0.971127
H -4.115925 -0.294490 -2.033126
H -4.835603 0.246381 -0.513682
H -3.547731 -1.303555 1.683263
H -2.026283 -2.098239 1.180536
H -5.804580 -1.859848 -0.171791
H -5.113252 -2.457167 -1.694884
H -3.159235 -3.342631 -0.605380
H -4.286083 -3.497159 0.767366
H -0.214844 -0.987557 0.288553
H 0.169966 0.377927 -0.756188
H -0.335733 2.821548 0.070842
H -1.364454 3.046536 1.512858
H 0.332738 2.551839 1.709875
H -0.293018 0.677533 3.096206
H -1.389780 -0.623513 2.563903
H -2.038938 0.991888 2.958629
H 1.497875 -0.171902 1.983530
H 1.911038 1.169870 0.917825
H 4.021781 -0.307343 1.691128
H 4.316165 -2.610849 -0.179058
H 5.247148 -2.258990 1.304138
H 4.473334 1.576729 0.259639
H 4.232974 0.607038 -1.225571
H -2.345098 2.094793 -2.975596
H -0.790033 2.221654 -2.100427
H -1.558170 0.621619 -2.348443
H -2.400453 3.941937 -0.505108
H -3.805064 3.092114 0.213440
H -3.760317 3.417498 -1.545208
H 5.891546 -1.520500 -1.585916
H 7.040793 -1.841478 -0.260986
H 6.634298 0.407297 0.710254
H 6.698084 0.746728 -1.044065


