%chk=000200305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200305

0 1
O 3.697142 -0.449893 1.399661
N -3.125578 -0.739067 0.487890
C -0.928186 0.325035 0.109158
C -1.920140 -0.789494 -0.412883
C -1.227999 0.361424 1.630907
C -2.637442 -0.237503 1.816208
C -1.310592 1.684474 -0.537515
C 0.517966 0.021792 -0.247859
C -1.328658 -2.213337 -0.325727
C -0.412943 2.843900 -0.086304
C -4.213796 0.115203 -0.069725
C -2.261747 -3.250380 -0.946341
C 1.510644 -0.098829 0.722716
C 0.872332 -0.116734 -1.610280
C -0.877887 4.176166 -0.669174
C 2.838422 -0.358763 0.324551
C 2.189154 -0.372847 -1.979629
C 3.200295 -0.498946 -1.017610
C 5.093025 -0.720955 1.129310
H -2.205489 -0.586606 -1.470261
H -1.166279 1.388031 2.028728
H -0.486444 -0.230637 2.198229
H -2.605736 -1.119718 2.490983
H -3.332164 0.489093 2.274557
H -2.370302 1.915269 -0.293082
H -1.271366 1.597743 -1.640056
H -1.132019 -2.472332 0.733252
H -0.346643 -2.248343 -0.835858
H 0.636003 2.647165 -0.388488
H -0.399032 2.901552 1.020974
H -5.073158 0.092175 0.618697
H -4.553498 -0.318196 -1.023633
H -3.929969 1.168474 -0.242393
H -3.248222 -3.224892 -0.461450
H -2.416831 -3.072540 -2.014808
H -1.861056 -4.262257 -0.829244
H 1.293007 -0.002503 1.785580
H 0.107036 -0.023959 -2.376662
H -0.869330 4.162305 -1.764976
H -1.896143 4.425543 -0.351240
H -0.224385 4.995523 -0.348465
H 2.444850 -0.478068 -3.034390
H 4.219856 -0.698262 -1.321159
H 5.528895 0.087421 0.535524
H 5.203341 -1.692538 0.639346
H 5.518664 -0.739986 2.140940


%chk=000200305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200305

0 1
O 3.851804 -0.477048 1.428994
N -3.071558 -0.638568 0.541257
C -0.864700 0.317352 0.128989
C -1.914293 -0.745253 -0.409601
C -1.166813 0.262873 1.657327
C -2.705487 0.194938 1.713796
C -1.255929 1.718986 -0.466321
C 0.592807 0.014416 -0.245289
C -1.389754 -2.203089 -0.476948
C -0.482891 2.933113 0.096743
C -4.399979 -0.375193 -0.024749
C -2.473647 -3.201839 -0.930291
C 1.605928 -0.119962 0.727292
C 0.962476 -0.100076 -1.618183
C -0.830410 4.237594 -0.654146
C 2.951552 -0.367024 0.353447
C 2.297831 -0.345220 -1.986275
C 3.312975 -0.482777 -1.008534
C 5.257304 -0.731204 1.109097
H -2.245216 -0.446709 -1.430522
H -0.762016 1.122735 2.216670
H -0.738589 -0.657919 2.095010
H -3.070830 -0.255179 2.657585
H -3.144171 1.220955 1.648855
H -2.342679 1.882384 -0.323899
H -1.096355 1.681727 -1.563079
H -1.020294 -2.494205 0.526008
H -0.524088 -2.252293 -1.164387
H 0.605326 2.742707 0.025851
H -0.710738 3.064280 1.173055
H -5.172972 -0.521238 0.753464
H -4.616326 -1.083360 -0.843042
H -4.520937 0.664402 -0.427037
H -3.330034 -3.175656 -0.233358
H -2.843514 -2.961121 -1.946687
H -2.078303 -4.234137 -0.953998
H 1.389264 -0.032812 1.795611
H 0.198305 -0.003624 -2.397892
H -0.563478 4.159750 -1.725158
H -1.913581 4.457116 -0.593867
H -0.286364 5.102949 -0.232954
H 2.561974 -0.435033 -3.046345
H 4.345742 -0.673118 -1.314577
H 5.688416 0.088923 0.501833
H 5.382388 -1.692412 0.572853
H 5.769451 -0.780429 2.081403


