%chk=000200494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200494

0 1
O 5.615044 0.619202 0.269958
N 0.541796 2.600319 -0.798390
N -4.382086 -0.501933 0.926410
N 3.831881 -0.384127 -0.741676
C -0.032590 0.207222 -0.714816
C -0.617393 1.661014 -0.695343
C 0.981888 0.000968 0.425469
C 2.101361 1.053589 0.382278
C -1.577264 1.953311 0.501760
C 1.492937 2.474228 0.351298
C -1.131637 -0.823184 -0.606975
C -2.304190 -0.404016 0.046707
C -2.604895 0.888752 0.596447
C 3.048357 0.869900 -0.826303
C -3.423230 -1.263959 0.246333
C 0.109591 4.017532 -0.974108
C -1.093827 -2.128565 -1.065479
C -3.882010 0.814938 1.125277
C -3.370095 -2.596997 -0.224224
C -2.209747 -2.992849 -0.867512
C -5.722011 -0.953263 1.309287
C 5.081866 -0.407520 -0.118246
C 5.740573 -1.774722 -0.023151
C 5.094220 -2.630027 1.058332
H 0.497005 0.086520 -1.694303
H -1.216322 1.785334 -1.637537
H 0.457047 0.057550 1.400285
H 1.402574 -1.019280 0.376784
H 2.711314 0.962455 1.316485
H -2.041224 2.948930 0.372502
H -1.001122 2.000373 1.449099
H 1.018127 2.692260 1.332340
H 2.301532 3.226033 0.217702
H 3.757370 1.731447 -0.878657
H 2.470287 0.872186 -1.777477
H -0.353773 4.476852 -0.089007
H -0.602642 4.082483 -1.812128
H 0.990503 4.619227 -1.254443
H -0.221924 -2.514242 -1.583016
H -4.466672 1.565011 1.620520
H -4.205772 -3.271618 -0.087060
H -2.133028 -4.012009 -1.247327
H 3.336239 -1.240964 -0.954642
H -6.415317 -0.913255 0.448433
H -5.691352 -1.994732 1.677822
H -6.136669 -0.322924 2.114461
H 5.723143 -2.291641 -1.002235
H 6.817407 -1.616051 0.210082
H 4.048627 -2.867082 0.832795
H 5.628410 -3.581376 1.176730
H 5.115595 -2.124198 2.033759


%chk=000200494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200494

0 1
O 5.420734 0.210714 0.724848
N 0.508655 2.660064 -0.700219
N -4.517385 -0.475974 0.803473
N 3.718989 -0.387887 -0.739041
C -0.065828 0.248586 -0.642388
C -0.635615 1.711545 -0.640422
C 0.955484 0.060369 0.517427
C 2.084355 1.121075 0.482146
C -1.653183 2.001217 0.533570
C 1.465490 2.538050 0.424206
C -1.182260 -0.786143 -0.574574
C -2.387187 -0.374137 0.033102
C -2.706727 0.921293 0.567975
C 3.071274 0.934020 -0.703765
C -3.515549 -1.235245 0.181911
C 0.133592 4.052547 -1.000014
C -1.128974 -2.115761 -1.039106
C -4.019302 0.833431 1.029242
C -3.460106 -2.573416 -0.275888
C -2.252187 -2.988758 -0.883850
C -5.857676 -0.955981 1.138892
C 4.869595 -0.661715 -0.016721
C 5.449564 -2.071374 -0.200663
C 5.933379 -2.668604 1.138803
H 0.477432 0.134241 -1.601960
H -1.203775 1.835350 -1.585234
H 0.419544 0.124692 1.484942
H 1.383749 -0.959418 0.474424
H 2.677334 1.042054 1.414466
H -2.099383 3.002957 0.387650
H -1.105486 2.037441 1.497114
H 0.996486 2.773495 1.412978
H 2.264952 3.289189 0.270252
H 3.875159 1.685936 -0.606102
H 2.549737 1.109145 -1.660764
H -0.369050 4.586792 -0.156277
H -0.550296 4.071941 -1.868253
H 1.038844 4.629493 -1.265146
H -0.225063 -2.494386 -1.532657
H -4.653826 1.581004 1.503758
H -4.303105 -3.265987 -0.178145
H -2.175908 -4.017483 -1.255244
H 3.299386 -1.131352 -1.298264
H -6.413428 -1.258011 0.231062
H -5.808758 -1.822458 1.824689
H -6.421355 -0.151905 1.638595
H 4.715183 -2.742449 -0.687616
H 6.311929 -1.983337 -0.890963
H 5.085135 -2.868158 1.817988
H 6.476511 -3.616331 0.974843
H 6.606822 -1.953268 1.640219


