%chk=000216130.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216130

0 1
O 0.768156 -1.919115 1.469077
O 0.400455 -2.582101 -0.662337
N 4.124837 -0.575722 0.658498
C -2.026311 -0.517863 0.723494
C -1.473332 -1.960315 0.737459
C -1.878828 -1.279884 2.031648
C -3.392907 -0.304508 0.151823
C -1.099040 0.618417 0.422944
C -0.043947 -2.195719 0.395647
C -4.367276 0.368822 0.900931
C -0.429967 0.676155 -0.809316
C -3.698264 -0.754627 -1.141374
C -0.906609 1.638777 1.364012
C -5.638843 0.584989 0.365579
C 0.430422 1.736881 -1.091101
C -4.968359 -0.539112 -1.675682
C -0.045086 2.701176 1.081785
C 2.214144 -1.962929 1.260500
C -5.949404 0.132034 -0.925751
C 0.631515 2.757316 -0.146276
C 2.632154 -0.650939 0.582478
C 4.580281 0.846573 0.806028
C 4.749934 -1.222376 -0.543570
C 6.109866 0.889394 0.961593
C 6.281011 -1.210346 -0.404283
C 6.806746 0.219821 -0.229308
C -7.305567 0.359644 -1.510058
C 1.548419 3.894922 -0.459071
H -2.115113 -2.762338 0.338180
H -1.094407 -0.989902 2.735074
H -2.763968 -1.633625 2.557279
H -4.130955 0.727644 1.901600
H -0.579020 -0.115082 -1.546352
H -2.940378 -1.271948 -1.729890
H -1.429631 1.603698 2.318713
H -6.388690 1.109144 0.954399
H 0.943694 1.774767 -2.050015
H -5.199248 -0.890975 -2.679279
H 0.097207 3.488642 1.818951
H 2.473330 -2.857568 0.671704
H 2.589371 -2.050051 2.295894
H 2.159920 0.200457 1.122475
H 2.226243 -0.610116 -0.452546
H 4.103533 1.260848 1.721183
H 4.267488 1.487603 -0.045746
H 4.452150 -0.734492 -1.496687
H 4.387284 -2.272157 -0.591918
H 6.443749 1.936776 1.068536
H 6.396316 0.370126 1.898505
H 6.574675 -1.824199 0.470869
H 6.738662 -1.687126 -1.289546
H 7.901003 0.207312 -0.072862
H 6.633737 0.805209 -1.151737
H -8.000172 0.831143 -0.803125
H -7.251149 1.013654 -2.392664
H -7.766916 -0.584447 -1.833103
H 1.839070 4.462872 0.434085
H 1.065928 4.604196 -1.148680
H 2.475085 3.555169 -0.941066


%chk=000216130-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216130

0 1
O 0.754824 -1.620060 1.681435
O 0.441629 -2.881479 -0.260759
N 4.176828 -0.459246 0.565710
C -2.081079 -0.512160 0.841484
C -1.488945 -1.966473 0.899116
C -2.039418 -1.281680 2.159256
C -3.421346 -0.375185 0.139078
C -1.148866 0.665549 0.622976
C -0.034415 -2.214418 0.692372
C -4.435652 0.429109 0.714942
C -0.680509 0.962073 -0.683339
C -3.678067 -0.989050 -1.111936
C -0.762435 1.520829 1.681625
C -5.672261 0.611779 0.059038
C 0.165329 2.064896 -0.915613
C -4.915270 -0.804413 -1.765481
C 0.081807 2.629456 1.445810
C 2.232683 -1.682629 1.492426
C -5.933959 0.001805 -1.194742
C 0.569506 2.916738 0.146367
C 2.701609 -0.452551 0.693193
C 4.778569 0.897114 0.558213
C 4.650736 -1.272627 -0.584502
C 6.318058 0.813523 0.620975
C 6.184313 -1.428600 -0.556933
C 6.870929 -0.043528 -0.541533
C -7.255905 0.212943 -1.913357
C 1.515119 4.079048 -0.102399
H -2.109541 -2.731705 0.424658
H -1.294870 -0.989148 2.903586
H -2.982378 -1.667783 2.558002
H -4.252920 0.913471 1.681757
H -0.982964 0.325250 -1.522845
H -2.908446 -1.620090 -1.572704
H -1.118887 1.318393 2.698020
H -6.445285 1.235455 0.524551
H 0.518591 2.270275 -1.933884
H -5.094470 -1.293115 -2.731416
H 0.367096 3.279323 2.282476
H 2.488673 -2.627422 0.982401
H 2.649325 -1.668311 2.510684
H 2.383916 0.456032 1.235858
H 2.186892 -0.435629 -0.295592
H 4.392471 1.454617 1.431924
H 4.481879 1.469875 -0.362421
H 4.346909 -0.797944 -1.555695
H 4.164954 -2.264338 -0.545665
H 6.744993 1.834844 0.591506
H 6.606728 0.354953 1.586690
H 6.468585 -1.994407 0.351304
H 6.510481 -2.016981 -1.436219
H 7.968319 -0.154338 -0.452564
H 6.675250 0.473365 -1.504355
H -8.002568 0.689547 -1.254965
H -7.128850 0.864576 -2.799288
H -7.679474 -0.743223 -2.271698
H 1.473083 4.819024 0.715765
H 1.277920 4.601042 -1.046951
H 2.563775 3.728229 -0.178739


