%chk=000218511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218511

0 1
O 5.398944 -0.212248 0.810583
N -1.917451 1.878892 -1.162643
N 0.278894 -1.223178 -0.995170
N -4.681851 -1.278558 1.583446
C -0.325668 0.024188 -0.808171
C -1.743995 0.389429 -1.143045
C 0.603090 0.918635 -0.265254
C -1.259468 2.559711 0.001250
C 0.278358 2.333140 0.040339
C 1.839778 0.215338 -0.109432
C 1.618829 -1.131201 -0.571181
C -2.755028 -0.192080 -0.163651
C -1.587416 4.052869 -0.069311
C -0.381779 -2.425992 -1.508377
C 3.112801 0.589183 0.374576
C 2.649124 -2.099935 -0.556208
C 4.096667 -0.381668 0.377702
C -4.107810 -0.240221 -0.532668
C -2.380693 -0.683190 1.093000
C 3.883690 -1.722964 -0.081573
C -5.035468 -0.786963 0.366182
C -3.370892 -1.217397 1.933008
C 5.774018 1.092624 1.309516
H -1.991459 0.008601 -2.174350
H -1.709378 2.122952 0.932372
H 0.670880 2.617415 1.036546
H 0.792753 2.998450 -0.682959
H -1.535218 2.248376 -2.041645
H -1.224796 4.577870 0.820741
H -1.146732 4.540009 -0.945451
H -2.674011 4.209022 -0.126049
H -0.385035 -2.432987 -2.613888
H 0.135022 -3.338587 -1.161860
H -1.428085 -2.483015 -1.153782
H 3.275994 1.601659 0.720098
H 2.464545 -3.109793 -0.912339
H -4.436482 0.166006 -1.486821
H -1.342347 -0.645830 1.422875
H 4.721836 -2.416046 -0.040735
H -6.101979 -0.839757 0.119144
H -3.118939 -1.612464 2.924071
H 5.180571 1.346855 2.192397
H 5.673374 1.844135 0.521270
H 6.827812 0.938714 1.574545


%chk=000218511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218511

0 1
O 5.498471 -0.155815 0.824193
N -1.897155 1.827445 -1.198436
N 0.303250 -1.266613 -0.942095
N -4.810983 -1.247052 1.627070
C -0.309667 -0.009902 -0.765807
C -1.742454 0.341743 -1.108156
C 0.613530 0.899414 -0.241459
C -1.276843 2.565361 -0.054982
C 0.267182 2.341583 0.041685
C 1.867934 0.193538 -0.091523
C 1.646441 -1.155218 -0.540276
C -2.790480 -0.225803 -0.129657
C -1.631981 4.056759 -0.164390
C -0.295936 -2.467205 -1.526375
C 3.153371 0.578304 0.380285
C 2.679363 -2.119319 -0.534489
C 4.177269 -0.391538 0.385951
C -4.161608 0.067813 -0.336520
C -2.455008 -1.036608 0.979890
C 3.944790 -1.726512 -0.066864
C -5.123416 -0.458796 0.551233
C -3.486660 -1.515821 1.822217
C 5.811326 1.189014 1.300994
H -1.996416 -0.052738 -2.115640
H -1.741114 2.149980 0.861284
H 0.613889 2.645287 1.050363
H 0.782579 3.013875 -0.678903
H -1.517935 2.172095 -2.094506
H -1.182423 4.628775 0.667641
H -1.248097 4.484559 -1.111499
H -2.725771 4.198424 -0.141724
H 0.065576 -2.642985 -2.558059
H -0.051413 -3.354491 -0.914817
H -1.392454 -2.367962 -1.546828
H 3.328213 1.601590 0.725366
H 2.516652 -3.144572 -0.883350
H -4.460176 0.720945 -1.162599
H -1.410013 -1.282124 1.196149
H 4.782165 -2.429986 -0.038011
H -6.190162 -0.248932 0.411913
H -3.251509 -2.138865 2.693057
H 5.194322 1.460827 2.180878
H 5.665873 1.945654 0.504023
H 6.872475 1.155871 1.589867


