%chk=000183599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183599

0 1
O 0.002759 -1.362254 -0.000086
O 0.904005 0.762137 0.000024
O 8.437327 -0.033364 0.000160
O 7.703571 2.001324 0.000232
N 2.225169 -1.197575 -0.000117
N 7.536664 0.791983 0.000002
C -3.978969 -0.137953 0.000023
C -5.408205 0.251712 0.000052
C -3.304874 -0.318633 -1.219188
C -3.305267 -0.320265 1.219205
C -1.322191 -0.862216 -0.000035
C -1.956346 -0.681574 -1.231232
C -1.956736 -0.683207 1.231197
C -5.763266 1.608708 0.000104
C -6.404242 -0.735815 0.000027
C 3.537529 -0.654779 -0.000075
C -7.112331 1.973345 0.000134
C -7.751215 -0.363310 0.000050
C 4.615336 -1.572939 -0.000171
C 3.776118 0.734598 0.000052
C 6.154092 0.291788 -0.000020
C -8.106628 0.989515 0.000105
C 5.919075 -1.095419 -0.000141
C 5.083269 1.204436 0.000078
C 1.041556 -0.433243 -0.000042
H -3.837215 -0.170666 -2.159830
H -3.837906 -0.173555 2.159875
H -1.413415 -0.822823 -2.163352
H -1.414101 -0.825703 2.163300
H -4.988181 2.373861 0.000128
H -6.126750 -1.788572 -0.000018
H -7.388914 3.026775 0.000180
H -8.525366 -1.129251 0.000026
H 4.434698 -2.646845 -0.000268
H 2.939366 1.445188 0.000127
H 2.124957 -2.220793 -0.000186
H -9.156646 1.276651 0.000126
H 6.770571 -1.787297 -0.000215
H 5.290600 2.282229 0.000169


%chk=000183599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183599

0 1
O 0.038296 -1.376970 -0.000332
O 0.914379 0.827326 0.000265
O 8.589256 -0.145516 -0.000191
O 7.868008 2.020420 0.000531
N 2.272698 -1.122617 -0.000194
N 7.651698 0.745887 0.000161
C -4.034905 -0.152246 -0.000012
C -5.482714 0.247547 0.000064
C -3.337916 -0.343638 -1.221631
C -3.338967 -0.347965 1.221519
C -1.319538 -0.908301 -0.000188
C -1.977710 -0.721878 -1.229170
C -1.978753 -0.726193 1.228877
C -5.852937 1.617621 -0.001405
C -6.502913 -0.739005 0.001588
C 3.586910 -0.606909 -0.000083
C -7.215678 1.992719 -0.001330
C -7.865592 -0.363730 0.001639
C 4.657184 -1.547454 -0.000334
C 3.868670 0.788717 0.000266
C 6.250375 0.278226 0.000129
C -8.225887 1.003432 0.000187
C 5.989340 -1.110745 -0.000241
C 5.203661 1.226172 0.000367
C 1.078076 -0.409038 0.000001
H -3.864897 -0.194605 -2.169902
H -3.866737 -0.202222 2.169863
H -1.436406 -0.872427 -2.168283
H -1.438215 -0.880012 2.167903
H -5.071373 2.385789 -0.002549
H -6.225303 -1.799255 0.002675
H -7.487386 3.054241 -0.002436
H -8.642715 -1.136221 0.002786
H 4.439770 -2.622048 -0.000602
H 3.045792 1.505848 0.000461
H 2.160219 -2.139732 -0.000445
H -9.282112 1.294829 0.000233
H 6.824436 -1.815503 -0.000427
H 5.447779 2.291657 0.000637


