%chk=000216074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216074

0 1
O 3.502405 0.199667 0.277447
O 3.310652 2.823873 0.332756
N -2.646174 0.304456 -0.169612
C -1.324132 -0.378368 -0.394668
C -0.137117 0.541278 -0.157096
C -1.209820 -1.577667 0.576310
C -2.666140 1.649954 -0.828070
C -0.280854 1.927588 -0.082337
C -1.643035 2.556667 -0.131114
C 1.139439 -0.075610 -0.024302
C 0.081064 -2.299440 0.321756
C -3.781043 -0.544326 -0.670270
C 1.235239 -1.547527 -0.012162
C 0.845880 2.759842 0.087016
C 2.251399 0.758285 0.148009
C -5.114147 -0.083428 -0.052540
C 2.095619 2.173305 0.191429
C 0.148574 -3.693298 0.398327
C 2.425160 -2.226937 -0.307084
C 1.350143 -4.354997 0.121765
C 2.482121 -3.623101 -0.240084
C -5.200156 -0.396949 1.438217
C 3.270307 4.232451 0.663906
H -1.237240 -0.757936 -1.452214
H -2.086929 -2.246409 0.469048
H -1.245638 -1.213163 1.626601
H -3.686711 2.078967 -0.710463
H -2.455412 1.603653 -1.918522
H -1.974093 2.748751 0.915214
H -1.614701 3.541771 -0.634854
H -3.590088 -1.601280 -0.370964
H -3.860387 -0.541604 -1.778723
H 0.720972 3.836676 0.133200
H -5.246439 1.006671 -0.209723
H -5.947029 -0.574800 -0.592053
H -0.733300 -4.268344 0.671257
H 3.320646 -1.665553 -0.589540
H 1.397627 -5.440309 0.184841
H 3.414446 -4.135493 -0.467671
H -4.336572 0.028751 1.970838
H -6.107708 0.020605 1.884789
H -5.197333 -1.474870 1.629071
H 4.180050 0.902006 0.491146
H 2.846945 4.799429 -0.170556
H 4.335076 4.462787 0.797293
H 2.711435 4.391373 1.590685


%chk=000216074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216074

0 1
O 3.566955 0.239507 0.343195
O 3.352963 2.835689 0.464592
N -2.662142 0.332444 -0.227592
C -1.354314 -0.370022 -0.351872
C -0.147437 0.549063 -0.114038
C -1.229155 -1.550159 0.642136
C -2.635921 1.668685 -0.871839
C -0.285400 1.951047 -0.030348
C -1.658972 2.591591 -0.134208
C 1.140432 -0.082540 0.017868
C 0.049803 -2.312050 0.343895
C -3.807555 -0.475781 -0.733353
C 1.226920 -1.569337 0.009888
C 0.859060 2.768436 0.162395
C 2.269191 0.755390 0.197650
C -5.142687 -0.130096 -0.032998
C 2.119059 2.169102 0.269883
C 0.090891 -3.722736 0.375989
C 2.418033 -2.284542 -0.295794
C 1.282310 -4.422323 0.077958
C 2.444323 -3.694926 -0.264763
C -5.138568 -0.492355 1.466432
C 3.323436 4.291010 0.596967
H -1.243992 -0.796292 -1.387512
H -2.096440 -2.229457 0.576213
H -1.219402 -1.131349 1.668934
H -3.654457 2.094271 -0.836966
H -2.344057 1.594038 -1.951728
H -2.059643 2.789732 0.879724
H -1.591406 3.565588 -0.656939
H -3.595468 -1.546389 -0.562587
H -3.919944 -0.350106 -1.839923
H 0.739786 3.855266 0.221969
H -5.358945 0.949976 -0.153049
H -5.958863 -0.670268 -0.554523
H -0.819991 -4.277037 0.633828
H 3.323638 -1.729822 -0.545565
H 1.300928 -5.517765 0.105606
H 3.373264 -4.223972 -0.505926
H -4.288024 0.000906 1.968953
H -6.074764 -0.176309 1.962127
H -5.031066 -1.584812 1.610093
H 4.173183 1.011031 0.516008
H 2.932340 4.763227 -0.324554
H 4.368449 4.595000 0.756290
H 2.706649 4.596840 1.463779


