%chk=000181834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181834

0 1
O 6.203949 -0.418756 -1.625008
N 3.960634 0.222005 0.027373
N 0.493359 -0.584553 1.790238
N -1.076260 -0.964518 -2.144482
C 3.003152 1.150890 0.714367
C 5.364952 0.432254 0.512107
C 3.905653 0.416080 -1.460391
C 2.682912 0.627603 2.124737
C 6.282804 -0.578308 -0.194177
C 4.860465 -0.589964 -2.121733
C 1.936128 -0.716522 2.103728
C 0.013294 -0.655084 0.478779
C -1.363808 -0.227651 0.214943
C -1.861374 -0.405826 -1.123466
C -2.208117 0.332612 1.180463
C -3.517787 0.724575 0.865271
C -4.006962 0.547586 -0.470481
C 0.757162 -1.185391 -0.561263
C -3.173245 -0.014339 -1.443726
C 0.162498 -1.332351 -1.850014
C -4.394708 1.304207 1.856877
C -5.360269 0.958534 -0.774295
C -5.663405 1.678220 1.530589
C -6.154517 1.501990 0.189340
H 3.381097 2.193854 0.780148
H 2.061931 1.194831 0.119393
H 5.387282 0.260589 1.609020
H 5.735350 1.464458 0.331370
H 4.172428 1.448263 -1.773262
H 2.863541 0.225821 -1.800584
H 3.621702 0.500792 2.701588
H 2.098291 1.392617 2.670200
H 7.350802 -0.385755 0.007558
H 6.023172 -1.619514 0.065994
H 4.543421 -1.632885 -1.945720
H 4.982068 -0.401867 -3.202861
H 2.009065 -1.209891 3.099636
H 2.425654 -1.406139 1.370566
H -0.025020 0.001479 2.443361
H -1.854149 0.467347 2.203514
H 1.789409 -1.500909 -0.414198
H -3.528492 -0.160492 -2.466083
H 0.755187 -1.772919 -2.663195
H -4.012092 1.430335 2.868338
H -5.718459 0.817829 -1.793556
H -6.333163 2.115164 2.269077
H -7.175036 1.814399 -0.028381


%chk=000181834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181834

0 1
O 6.069840 -0.732650 -1.773878
N 4.017603 0.294812 0.021244
N 0.593091 -0.061289 1.734191
N -1.032481 -0.961938 -2.144330
C 3.318284 1.313291 0.848348
C 5.387074 -0.022948 0.508743
C 4.075706 0.701157 -1.411528
C 2.922850 0.799126 2.248250
C 6.011969 -1.128852 -0.358704
C 4.713386 -0.415677 -2.251821
C 1.940659 -0.398736 2.219335
C 0.077956 -0.345826 0.477380
C -1.339192 -0.089398 0.199677
C -1.834745 -0.414770 -1.137601
C -2.240635 0.446127 1.147575
C -3.605431 0.685267 0.838137
C -4.094716 0.367148 -0.497147
C 0.859589 -0.884175 -0.563937
C -3.194375 -0.175325 -1.445368
C 0.257006 -1.173094 -1.825025
C -4.524561 1.231861 1.802589
C -5.481095 0.613258 -0.805074
C -5.857925 1.456633 1.470494
C -6.341048 1.143896 0.151875
H 3.937659 2.239067 0.960613
H 2.397478 1.603484 0.307792
H 5.338627 -0.375124 1.555458
H 6.044663 0.882590 0.480979
H 4.669183 1.639977 -1.542751
H 3.046458 0.890972 -1.769315
H 3.822224 0.498213 2.821357
H 2.465099 1.637736 2.809791
H 7.056439 -1.322125 -0.063121
H 5.415876 -2.061808 -0.254870
H 4.078029 -1.327471 -2.205564
H 4.835428 -0.104389 -3.302172
H 1.844396 -0.807988 3.244460
H 2.360798 -1.198039 1.586559
H -0.033980 0.365882 2.414329
H -1.915848 0.694702 2.167009
H 1.932178 -1.056266 -0.432512
H -3.529566 -0.430258 -2.456284
H 0.881977 -1.600442 -2.620774
H -4.156834 1.470431 2.808342
H -5.846523 0.373211 -1.810433
H -6.548785 1.873453 2.211612
H -7.393283 1.326996 -0.092232


