%chk=000297422.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297422

0 1
O -7.323596 -0.710846 -0.641502
N 5.197461 2.957613 0.363564
N -1.215781 0.590598 0.547703
C 3.732069 -0.994109 -1.165394
C 5.864128 -0.789806 -0.410181
C 3.701056 0.368137 -0.400189
C 5.153194 0.468985 0.186699
C 5.158920 -0.949397 -1.786807
C 3.871927 -2.168609 -0.156489
C 5.331841 -2.034324 0.356126
C 2.620296 0.488089 0.678809
C 5.878356 1.762760 -0.219729
C 1.207650 0.426143 0.085290
C 0.141732 0.616326 1.176594
C -2.300961 0.673513 1.577907
C -3.627996 0.322423 0.954914
C -4.428278 -0.692236 1.509851
C -4.074949 1.016227 -0.177573
C -5.660530 -1.008900 0.949026
C -5.308081 0.715121 -0.763384
C -6.088247 -0.295635 -0.189707
C -7.871639 -0.052959 -1.808271
H 2.907054 -1.116898 -1.874864
H 6.956154 -0.720548 -0.439197
H 3.544788 1.189033 -1.139145
H 5.130104 0.400167 1.294513
H 5.320225 -0.109635 -2.471583
H 5.436318 -1.865298 -2.320614
H 3.139809 -2.096627 0.661203
H 3.705364 -3.135933 -0.651702
H 5.926524 -2.928261 0.117757
H 5.377274 -1.902994 1.445653
H 2.746093 -0.305416 1.440744
H 2.759348 1.452519 1.209370
H 5.857794 1.882851 -1.327063
H 6.949803 1.691512 0.068682
H 1.084238 1.209980 -0.690322
H 1.057030 -0.537968 -0.436342
H 5.782614 3.780260 0.254061
H 5.044973 2.833805 1.359388
H 0.271068 1.610082 1.660802
H 0.268757 -0.147231 1.974070
H -1.330340 -0.270261 0.000177
H -2.328792 1.727360 1.945029
H -2.104448 0.039742 2.471134
H -4.084933 -1.237737 2.388557
H -3.444951 1.797214 -0.610600
H -6.295736 -1.787209 1.363776
H -5.637065 1.260650 -1.640450
H -7.224313 -0.214090 -2.674972
H -8.027154 1.010761 -1.607075
H -8.829875 -0.574242 -1.930743


%chk=000297422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297422

0 1
O -7.582254 -0.210565 -0.641427
N 4.952573 3.040985 0.286207
N -1.225846 0.110553 0.721565
C 3.848436 -1.036528 -1.161464
C 5.987440 -0.632527 -0.477373
C 3.720870 0.321084 -0.389481
C 5.189559 0.563825 0.134535
C 5.244329 -0.864711 -1.827596
C 4.130725 -2.207660 -0.171906
C 5.606475 -1.926569 0.303597
C 2.636842 0.401534 0.705678
C 5.767355 1.938452 -0.268956
C 1.204912 0.155855 0.178904
C 0.129023 0.346450 1.264543
C -2.324839 0.269684 1.698435
C -3.695117 0.132971 1.044486
C -4.768981 -0.495794 1.727343
C -3.937257 0.653431 -0.248799
C -6.047772 -0.591792 1.146080
C -5.212421 0.562698 -0.851625
C -6.273119 -0.060584 -0.147847
C -7.862049 0.320571 -1.975941
H 3.009089 -1.232678 -1.850024
H 7.075716 -0.455365 -0.540823
H 3.490378 1.116117 -1.128531
H 5.212553 0.498310 1.244196
H 5.294674 -0.003140 -2.517974
H 5.590184 -1.769757 -2.360119
H 3.413638 -2.239045 0.667144
H 4.059743 -3.178050 -0.697412
H 6.277825 -2.762673 0.033154
H 5.679240 -1.781740 1.397256
H 2.859916 -0.316806 1.522484
H 2.689898 1.414146 1.153698
H 5.750737 2.030300 -1.372565
H 6.841606 1.975340 0.041225
H 0.987701 0.848222 -0.658038
H 1.130234 -0.873250 -0.231770
H 5.171826 3.965089 -0.099130
H 4.934594 3.055341 1.311954
H 0.169343 1.388649 1.641702
H 0.367125 -0.316479 2.137219
H -1.287848 -0.794268 0.233054
H -2.218389 1.283671 2.139096
H -2.258026 -0.445053 2.557915
H -4.603240 -0.916338 2.727173
H -3.105067 1.125216 -0.782169
H -6.879463 -1.075912 1.667257
H -5.364292 0.975083 -1.854079
H -7.240651 -0.175673 -2.747308
H -7.697457 1.415266 -2.018505
H -8.924171 0.098817 -2.157539


