%chk=000288613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288613

0 1
O -0.239670 3.626899 0.585097
N -2.031262 1.007009 0.550507
N 3.903602 -2.032328 -0.792610
C -0.005709 0.078662 1.573309
C -0.766160 1.410924 1.260903
C 1.483651 0.141850 1.222188
C 1.670154 0.591920 -0.234952
C -0.760857 -0.955986 0.771381
C 1.203728 2.043961 -0.403729
C 0.051509 2.454600 0.482803
C -1.881503 -0.351197 0.132007
C 3.145587 0.460042 -0.682099
C -0.511088 -2.307026 0.613302
C -2.605754 1.975052 -0.410476
C -2.733665 -1.094729 -0.682590
C -1.374292 -3.063794 -0.201316
C -2.462800 -2.464195 -0.835199
C 3.565761 -0.928257 -0.744733
H -0.115046 -0.148322 2.662089
H -1.092872 1.899286 2.219032
H 2.012477 0.823557 1.914710
H 1.940454 -0.856619 1.378581
H 1.043004 -0.067142 -0.892022
H 0.913789 2.235473 -1.459757
H 2.037881 2.756727 -0.215818
H 3.814825 1.023676 0.009646
H 3.283687 0.934058 -1.682918
H 0.337207 -2.783538 1.100620
H -3.666739 1.714472 -0.574238
H -2.099685 2.002643 -1.387275
H -2.583889 2.992168 0.025406
H -3.587844 -0.641102 -1.173473
H -1.184571 -4.126344 -0.335488
H -3.120207 -3.065699 -1.462985


%chk=000288613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288613

0 1
O -0.135184 3.735530 1.071053
N -1.610032 0.991377 -0.023646
N 3.904776 -1.926882 -1.127903
C 0.006179 0.079471 1.553153
C -0.777878 1.387792 1.152363
C 1.507408 0.124682 1.137618
C 1.678619 0.738875 -0.268980
C -0.772050 -1.011624 0.815340
C 1.290836 2.239401 -0.222762
C 0.118896 2.554673 0.710694
C -1.690850 -0.414758 -0.090900
C 3.134975 0.605552 -0.804901
C -0.667140 -2.406370 0.904393
C -2.693497 1.867110 -0.475693
C -2.528190 -1.206354 -0.909025
C -1.496521 -3.218185 0.083411
C -2.414729 -2.615774 -0.807791
C 3.565723 -0.791512 -0.986506
H -0.045282 -0.062550 2.647625
H -1.420135 1.746815 1.984112
H 2.084046 0.725645 1.871718
H 1.913061 -0.903365 1.165422
H 1.005008 0.205169 -0.965855
H 1.035281 2.615679 -1.233167
H 2.142721 2.857165 0.126807
H 3.837213 1.099769 -0.103975
H 3.227947 1.130137 -1.776001
H 0.042560 -2.871036 1.599310
H -3.625744 1.727597 0.114977
H -2.922944 1.674574 -1.538719
H -2.381000 2.920604 -0.383585
H -3.248181 -0.755028 -1.599155
H -1.426363 -4.309071 0.142989
H -3.055826 -3.248405 -1.432519


