%chk=000186945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186945

0 1
O -2.203976 -1.936340 -1.061600
O -2.230743 1.962000 1.466841
N -1.800439 -0.036980 0.283947
C -3.988815 -0.336078 -0.516784
C -3.995191 0.798005 0.211849
C -5.163140 -0.903782 -1.220077
C -5.181626 1.654993 0.444123
C -6.456594 -0.237260 -0.711120
C -6.302858 1.284427 -0.546769
C -2.604131 -0.940222 -0.524897
C -2.617060 1.063600 0.770814
C -0.395518 -0.206659 0.560702
C 0.393445 -1.011672 -0.282291
C 0.182994 0.432896 1.670657
C 2.337096 -0.539046 1.100461
C 1.749379 -1.173327 -0.005871
C 1.543951 0.265339 1.930205
C 3.799765 -0.736487 1.395206
C 4.680089 -0.281045 0.260306
C 4.600409 1.041904 -0.203677
C 5.594778 -1.167591 -0.326080
C 5.429689 1.470398 -1.241920
C 6.423711 -0.732033 -1.364577
C 6.344283 0.585509 -1.824090
H -5.049183 -0.748310 -2.316023
H -5.212491 -2.005111 -1.083060
H -5.530343 1.528315 1.493174
H -4.918064 2.730058 0.349723
H -7.286292 -0.456902 -1.408947
H -6.743660 -0.686917 0.259901
H -7.259271 1.723062 -0.205520
H -6.088034 1.742897 -1.532254
H -0.046901 -1.519313 -1.143850
H -0.416277 1.070182 2.325130
H 2.361946 -1.793112 -0.661747
H 1.985453 0.769238 2.789324
H 3.977548 -1.808927 1.631132
H 4.096775 -0.191861 2.318627
H 3.883551 1.729314 0.242990
H 5.662863 -2.195426 0.022902
H 5.363237 2.496441 -1.600133
H 7.132610 -1.423758 -1.816434
H 6.989538 0.922081 -2.632094


%chk=000186945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186945

0 1
O -2.325186 -2.028215 -0.983968
O -2.261204 2.060786 1.381676
N -1.860852 -0.035166 0.276495
C -4.072074 -0.351827 -0.479560
C -4.055396 0.825130 0.211288
C -5.285938 -0.950850 -1.128506
C -5.242994 1.721286 0.411219
C -6.564727 -0.233769 -0.615633
C -6.383178 1.306971 -0.558360
C -2.692435 -0.945683 -0.465932
C -2.663322 1.075456 0.716079
C -0.456728 -0.206473 0.536905
C 0.378915 -0.816963 -0.433085
C 0.099993 0.239539 1.759858
C 2.329309 -0.538662 1.047327
C 1.752155 -0.982757 -0.170016
C 1.480964 0.077252 1.999157
C 3.814096 -0.747643 1.337602
C 4.764117 -0.295406 0.228072
C 4.630650 0.987542 -0.364568
C 5.820165 -1.134993 -0.206291
C 5.533549 1.421137 -1.359511
C 6.726638 -0.705111 -1.203414
C 6.587200 0.576263 -1.782949
H -5.200616 -0.852352 -2.230386
H -5.328346 -2.038801 -0.931295
H -5.584268 1.650517 1.464618
H -4.953854 2.779103 0.263986
H -7.420679 -0.489323 -1.266753
H -6.807609 -0.606669 0.399189
H -7.328923 1.786908 -0.246545
H -6.150381 1.681969 -1.574793
H -0.045290 -1.170165 -1.375630
H -0.533243 0.724145 2.506301
H 2.390312 -1.450654 -0.928423
H 1.902049 0.434498 2.946839
H 3.998569 -1.821389 1.542272
H 4.067403 -0.211585 2.274193
H 3.809670 1.642110 -0.047990
H 5.933640 -2.132019 0.238216
H 5.416510 2.415508 -1.805670
H 7.536448 -1.368899 -1.527487
H 7.287394 0.911753 -2.556328


