%chk=000203348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203348

0 1
O -2.404936 0.337942 -2.286128
N -3.243377 1.287468 1.002948
C -0.092894 0.411198 -1.481811
C -0.066234 -0.161098 -0.024004
C 2.343492 -0.243447 -1.055720
C 1.332133 0.326959 -2.095266
C 0.942956 0.678767 0.737430
C 0.509901 -1.562684 -0.092727
C 2.249006 0.637697 0.177864
C 1.816711 -1.609372 -0.650670
C -1.123954 -0.311733 -2.363671
C 0.684696 1.439688 1.868102
C -0.118392 -2.728336 0.321892
C 3.282980 1.360673 0.754253
C 2.479688 -2.819937 -0.789214
C 1.736411 2.169777 2.450184
C 0.557947 -3.953455 0.180798
C 3.016800 2.131406 1.900717
C 1.838507 -3.998794 -0.367387
C -3.220245 0.024053 -1.122971
C -3.508269 1.394874 -0.468018
C -4.468172 -0.661663 -1.667567
C -4.423146 0.711441 1.715862
C -2.898630 2.624899 1.572291
H -0.399584 1.483674 -1.416277
H -1.080720 -0.126956 0.433923
H 3.366359 -0.284751 -1.475522
H 1.661373 1.329488 -2.418206
H 1.344948 -0.310072 -2.996437
H -1.217846 -1.383564 -2.123858
H -0.893944 -0.198359 -3.441309
H -0.314056 1.468582 2.300592
H -1.114326 -2.701649 0.756858
H 4.285609 1.335386 0.335994
H 3.479779 -2.865637 -1.212226
H 1.544198 2.766482 3.339362
H 0.073180 -4.871433 0.507066
H 3.823165 2.699248 2.360289
H 2.353082 -4.952061 -0.469979
H -2.658640 -0.641058 -0.427555
H -4.528133 1.751450 -0.712814
H -2.811979 2.137967 -0.922994
H -4.223333 -1.642522 -2.091495
H -4.913043 -0.074474 -2.482179
H -5.227888 -0.802396 -0.893619
H -4.163500 0.567792 2.776920
H -4.647004 -0.283239 1.299232
H -5.337901 1.319627 1.664417
H -3.671536 3.396494 1.444554
H -1.968176 2.983269 1.100561
H -2.695867 2.518188 2.649717


%chk=000203348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203348

0 1
O -2.111210 0.930635 -1.438541
N -3.863236 0.323641 1.059966
C 0.309222 0.765224 -1.496085
C 0.358044 0.603523 0.078428
C 2.464017 -0.549843 -0.979594
C 1.555763 0.051039 -2.124059
C 1.674479 1.232923 0.520399
C 0.432061 -0.892136 0.362898
C 2.818237 0.609943 -0.052271
C 1.578061 -1.519118 -0.200130
C -1.002427 0.206758 -2.070733
C 1.828320 2.331534 1.387274
C -0.521074 -1.649225 1.071295
C 4.110564 1.082545 0.243708
C 1.781863 -2.902796 -0.036254
C 3.129336 2.807662 1.688959
C -0.312025 -3.041084 1.242347
C 4.265481 2.186045 1.120409
C 0.834980 -3.664077 0.695254
C -3.397606 0.206207 -1.423134
C -4.218558 0.841912 -0.282976
C -4.109789 0.312325 -2.785950
C -4.489133 -0.982950 1.346209
C -4.112243 1.303319 2.137407
H 0.344376 1.848897 -1.713470
H -0.530289 1.073591 0.527962
H 3.356951 -1.040801 -1.404269
H 2.149712 0.761348 -2.726186
H 1.239157 -0.772313 -2.793258
H -1.080099 -0.881095 -1.851096
H -1.024530 0.344382 -3.174192
H 0.947083 2.813197 1.827178
H -1.416499 -1.154666 1.467905
H 4.991058 0.599807 -0.197385
H 2.666023 -3.387938 -0.467218
H 3.256201 3.659114 2.367419
H -1.040560 -3.639097 1.802415
H 5.268369 2.557386 1.360536
H 0.991477 -4.739808 0.836670
H -3.194560 -0.862391 -1.189217
H -5.310229 0.707719 -0.496275
H -4.011132 1.927338 -0.310488
H -3.470536 -0.077778 -3.598016
H -4.349828 1.366365 -3.015698
H -5.050924 -0.269192 -2.784577
H -4.122557 -1.368951 2.314568
H -4.217376 -1.716816 0.566922
H -5.607730 -0.932053 1.395828
H -5.193496 1.568479 2.261512
H -3.552389 2.231899 1.929923
H -3.753602 0.895171 3.099883


