%chk=000213108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213108

0 1
O -0.856092 -0.130009 1.196895
O -0.597795 0.547473 -0.933354
N -4.253091 -0.087932 -0.116239
C 1.331104 -0.435409 0.280848
C -2.253169 0.373370 1.217031
C -3.137192 -0.745887 0.632522
C 1.949581 -0.999609 -0.997634
C 2.084272 0.819546 0.720093
C -0.119085 0.047106 0.061114
C 1.334592 -1.568102 1.317813
C -3.824831 0.259836 -1.514442
C -5.495629 -0.928037 -0.114433
C -2.489990 0.650391 2.688786
C 3.349472 -1.101026 -1.075102
C 2.196186 1.882382 -0.195303
C 1.168906 -1.468872 -2.061438
C 2.655180 0.946066 1.991291
C -4.721010 1.367531 -2.068448
C -6.148480 -0.901049 1.268770
C 3.954719 -1.659979 -2.201832
C 2.876324 3.047586 0.157498
C 1.779619 -2.027541 -3.189396
C 3.338007 2.117278 2.341263
C 3.170933 -2.126507 -3.262879
C 3.451659 3.167503 1.428279
H -2.287333 1.300719 0.600169
H -3.544253 -1.379497 1.449361
H -2.518243 -1.425028 0.007277
H 2.354388 -1.896525 1.549245
H 0.786489 -2.442987 0.945490
H 0.846303 -1.259684 2.253663
H -2.767549 0.625974 -1.483336
H -3.829132 -0.616803 -2.195937
H -6.202407 -0.492838 -0.857665
H -5.308846 -1.976498 -0.431127
H -3.538654 0.932210 2.857540
H -2.265883 -0.224390 3.311685
H -1.855303 1.470167 3.048725
H 3.968058 -0.735258 -0.255339
H 1.742173 1.792149 -1.185986
H 0.081648 -1.385937 -2.034462
H 2.573495 0.143852 2.722643
H -4.321220 1.756255 -3.010909
H -4.787632 2.205548 -1.361221
H -5.743340 1.020119 -2.251059
H -5.540738 -1.415519 2.021140
H -6.280893 0.132996 1.615554
H -7.133463 -1.377729 1.247464
H 5.039770 -1.731093 -2.254757
H 2.958098 3.865260 -0.557150
H 1.163521 -2.383274 -4.013745
H 3.779864 2.206864 3.332197
H 3.643506 -2.561196 -4.140985
H 3.982784 4.076730 1.702619


%chk=000213108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213108

0 1
O -0.817525 -0.161446 1.082678
O -0.394267 0.445977 -1.120683
N -4.381316 -0.054408 -0.163995
C 1.448997 -0.521068 0.264676
C -2.211594 0.402641 0.956602
C -3.124292 -0.673414 0.318125
C 2.126803 -1.086966 -1.008014
C 2.156520 0.774098 0.759617
C -0.000363 -0.052544 -0.038349
C 1.452289 -1.652349 1.331541
C -4.238662 0.512693 -1.536591
C -5.577212 -0.924622 -0.008771
C -2.635079 0.811910 2.363610
C 3.531482 -0.982604 -1.168753
C 2.280513 1.872850 -0.133386
C 1.393857 -1.840894 -1.959536
C 2.673359 0.905940 2.070645
C -5.194154 1.691269 -1.801332
C -6.059423 -1.030538 1.450231
C 4.186158 -1.605988 -2.254263
C 2.906986 3.068029 0.274755
C 2.044963 -2.462962 -3.047115
C 3.306102 2.103444 2.480527
C 3.445666 -2.349442 -3.200685
C 3.425662 3.189424 1.586089
H -2.150052 1.273646 0.279312
H -3.355221 -1.439685 1.080077
H -2.568905 -1.181839 -0.504459
H 2.491858 -1.944751 1.561816
H 0.933125 -2.541401 0.935249
H 0.940609 -1.343526 2.256493
H -3.195737 0.860865 -1.652284
H -4.388390 -0.279333 -2.312908
H -6.389001 -0.483432 -0.615144
H -5.395113 -1.948673 -0.423297
H -3.684467 1.152911 2.328233
H -2.562216 -0.043184 3.059630
H -2.004247 1.631325 2.747916
H 4.117371 -0.404302 -0.445799
H 1.879365 1.783432 -1.149329
H 0.306176 -1.929404 -1.868382
H 2.589985 0.080597 2.783500
H -5.038585 2.090155 -2.821131
H -5.011216 2.501187 -1.073693
H -6.255178 1.392747 -1.717221
H -5.289442 -1.473010 2.108332
H -6.305891 -0.028106 1.841966
H -6.960849 -1.668270 1.514078
H 5.272811 -1.509438 -2.359924
H 2.991253 3.903967 -0.428777
H 1.457956 -3.032438 -3.776756
H 3.702829 2.184654 3.499020
H 3.950952 -2.830252 -4.045908
H 3.914148 4.117228 1.904562


