%chk=000188488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188488

0 1
O 2.980229 0.742567 0.380273
O -2.364620 -0.611589 -0.619602
O -3.212358 -0.195050 1.456935
N 2.005891 -2.081620 0.013846
C 1.269261 -0.895094 -0.021817
C 0.666631 1.468527 0.072305
C -0.713272 1.122983 -0.128939
C -0.105423 -1.256324 -0.226446
C 1.634410 0.471702 0.114036
C -1.056867 -0.212649 -0.284377
C 1.079932 2.905504 0.258072
C -1.781654 2.182640 -0.169365
C -0.165433 -2.682328 -0.323076
C 1.127840 -3.164733 -0.168998
C 3.447140 -2.193775 0.251007
C 1.506691 3.174406 1.700426
C -2.378183 2.334811 -1.567674
C 3.700531 1.293366 -0.753930
C -3.373671 -0.599036 0.335611
C -4.600512 -1.145644 -0.309815
H 1.918833 3.143117 -0.434958
H 0.252557 3.594388 -0.023527
H -2.575802 1.927655 0.567343
H -1.378232 3.161972 0.172728
H -1.056674 -3.253766 -0.484500
H 1.477442 -4.181337 -0.176577
H 3.662302 -2.935965 1.038987
H 3.978197 -2.490769 -0.669680
H 3.855516 -1.214469 0.586886
H 0.694261 2.956542 2.404313
H 1.807211 4.216179 1.843340
H 2.355453 2.532550 1.980377
H -1.618807 2.646355 -2.293790
H -3.180648 3.078647 -1.579812
H -2.792610 1.382009 -1.925651
H 3.666003 0.598740 -1.596412
H 4.715172 1.401728 -0.357393
H 3.275901 2.270092 -1.023672
H -4.432989 -1.427060 -1.362366
H -5.416448 -0.406990 -0.283175
H -4.951999 -2.041982 0.225170


%chk=000188488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188488

0 1
O 3.050144 0.824156 0.283356
O -2.398653 -0.592744 -0.597653
O -3.043043 -0.558633 1.660681
N 2.042618 -2.073576 -0.009531
C 1.299198 -0.882026 -0.050732
C 0.687547 1.492752 0.057088
C -0.700470 1.145533 -0.128896
C -0.077369 -1.241449 -0.256129
C 1.676436 0.479610 0.078045
C -1.041570 -0.208976 -0.293955
C 1.107053 2.936884 0.310954
C -1.786968 2.212376 -0.204043
C -0.141641 -2.679286 -0.359931
C 1.160122 -3.148632 -0.202637
C 3.486254 -2.218126 0.221317
C 1.003473 3.311672 1.815053
C -2.104393 2.627562 -1.665940
C 3.787593 1.059340 -0.975174
C -3.319091 -0.769793 0.464617
C -4.652468 -1.236760 -0.080340
H 2.154425 3.083739 -0.003763
H 0.490557 3.630281 -0.289936
H -2.709943 1.839232 0.274168
H -1.487581 3.103934 0.373013
H -1.031648 -3.283227 -0.518984
H 1.535459 -4.171052 -0.201425
H 3.673775 -3.101801 0.855098
H 4.040189 -2.343152 -0.729424
H 3.859609 -1.321494 0.737018
H -0.022694 3.162540 2.196478
H 1.284973 4.368482 1.979031
H 1.679822 2.674980 2.411640
H -1.205293 3.029097 -2.168798
H -2.890107 3.405240 -1.694411
H -2.455942 1.756946 -2.247147
H 3.827911 0.139172 -1.591074
H 4.805242 1.358402 -0.678275
H 3.313988 1.866031 -1.567152
H -4.621022 -1.352595 -1.172831
H -5.435950 -0.509697 0.195824
H -4.919340 -2.198643 0.390904


