%chk=000188536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188536

0 1
O 2.591161 1.917686 -0.521854
N 0.848966 -0.568282 -0.854825
N 0.747061 1.865250 0.858333
N -3.700910 0.090794 0.358736
C 1.842954 -0.288360 0.236479
C 3.275382 -0.855593 0.085679
C -0.060259 2.866227 0.095396
C -1.510511 -0.311542 -0.200633
C -0.899875 2.132284 -0.989367
C -0.382118 -1.159444 -0.348039
C -1.805336 1.086607 -0.447655
C 1.813341 1.257742 0.134795
C -2.723311 -0.906527 0.298074
C 4.189992 -0.217822 1.138370
C 3.276605 -2.380728 0.235264
C -3.132496 1.299908 -0.100655
C 1.360774 -1.237155 -2.078455
C -0.929560 3.660891 1.069138
C -0.486656 -2.504499 -0.009722
C -2.827549 -2.272758 0.640526
C -1.699947 -3.051870 0.475341
H 1.449725 -0.626994 1.229780
H 3.667324 -0.579629 -0.926316
H 0.658886 3.559829 -0.421171
H -0.200296 1.665201 -1.722851
H -1.476468 2.881470 -1.566931
H 0.148012 1.225678 1.392890
H 3.828855 -0.377206 2.158674
H 5.203361 -0.630178 1.081404
H 4.279996 0.867176 0.978795
H 2.879110 -2.697046 1.205665
H 4.294424 -2.780303 0.157238
H 2.675618 -2.864575 -0.546596
H -3.707397 2.206524 -0.148887
H 0.538634 -1.312675 -2.810314
H 1.778535 -2.245551 -1.914643
H 2.143908 -0.597219 -2.523254
H -1.681947 3.032745 1.560497
H -0.316122 4.114860 1.859181
H -1.458172 4.469418 0.553865
H 0.373573 -3.161607 -0.113912
H -4.648044 -0.028368 0.657074
H -3.759177 -2.682891 1.013164
H -1.728645 -4.113367 0.722123


%chk=000188536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188536

0 1
O 2.536892 1.806353 -0.671844
N 0.934655 -0.899259 -0.607881
N 0.737546 1.712019 0.814123
N -3.772628 0.066979 -0.046489
C 1.964180 -0.383010 0.339881
C 3.394489 -0.911500 0.085110
C -0.047518 2.759509 0.117942
C -1.527075 -0.374606 -0.233491
C -0.814049 2.096544 -1.089077
C -0.373937 -1.233852 -0.114406
C -1.777183 1.001648 -0.683191
C 1.842083 1.155153 0.174277
C -2.804153 -0.914225 0.184415
C 4.371433 -0.310763 1.123290
C 3.429656 -2.454959 0.108544
C -3.152950 1.210241 -0.558606
C 1.136705 -0.715778 -2.056635
C -0.969102 3.490210 1.106069
C -0.546095 -2.500500 0.493059
C -2.968603 -2.190317 0.765494
C -1.811082 -2.971479 0.939101
H 1.644511 -0.686350 1.356812
H 3.709605 -0.555036 -0.915591
H 0.685584 3.466577 -0.309822
H -0.048604 1.723649 -1.792042
H -1.368845 2.896040 -1.617776
H 0.188550 1.083243 1.409240
H 4.091023 -0.609811 2.152737
H 5.400352 -0.670488 0.939175
H 4.381976 0.791380 1.067301
H 3.178241 -2.841009 1.116344
H 4.439163 -2.824744 -0.149561
H 2.707869 -2.883978 -0.609323
H -3.726318 2.106171 -0.791610
H 0.159748 -0.753850 -2.567827
H 1.771846 -1.520841 -2.482093
H 1.619676 0.254302 -2.289382
H -1.716542 2.802967 1.545646
H -0.378086 3.936035 1.925086
H -1.518848 4.300005 0.593227
H 0.335516 -3.145698 0.573617
H -4.767213 -0.035695 0.140958
H -3.953604 -2.556052 1.075866
H -1.887464 -3.967126 1.389732


