%chk=000020764.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000020764

0 1
O 2.270327 -0.970215 0.378428
N -4.127457 0.718470 -0.832396
N -1.696689 -4.729256 -0.350895
C -3.122512 -1.454451 -1.409790
C -2.325974 -2.609466 -0.926057
C -3.459737 -0.492318 -0.251912
C -0.960528 -2.559273 -0.464187
C -0.586303 -3.899365 -0.110647
C -2.744510 -3.933780 -0.844350
C -3.817919 1.953641 -0.038622
C -0.028374 -1.511101 -0.316640
C 0.699561 -4.213745 0.382651
C -5.604561 0.525265 -0.928695
C 1.222561 -1.846079 0.172009
C -2.372428 2.359086 -0.213629
C 1.600918 -3.182657 0.523005
C -1.674423 2.914412 0.869512
C -1.732786 2.229826 -1.456242
C 2.005696 0.454384 0.191758
C -0.354710 3.345574 0.705440
C -0.411922 2.654854 -1.612496
C 3.326813 1.121814 0.457376
C 0.279011 3.218048 -0.534023
C 3.364697 2.349257 1.134453
C 4.517717 0.530684 0.011234
C 4.589825 2.986600 1.349528
C 5.739827 1.169152 0.236354
C 5.777400 2.399291 0.901104
H -2.553605 -0.902115 -2.190778
H -4.051167 -1.792037 -1.910369
H -2.516567 -0.197227 0.260055
H -4.074921 -1.011604 0.511122
H -3.699115 -4.356291 -1.101621
H -4.071008 1.848350 1.039453
H -4.454429 2.784507 -0.428477
H -1.729536 -5.716187 -0.201903
H -0.312370 -0.499977 -0.589028
H 0.960784 -5.235729 0.641662
H -6.123520 0.422565 0.035469
H -6.043962 1.375769 -1.474210
H -5.807813 -0.378696 -1.525973
H 2.608932 -3.346076 0.899597
H -2.156772 3.016492 1.839216
H -2.277056 1.790464 -2.295163
H 1.667189 0.622636 -0.848975
H 1.212327 0.757605 0.899558
H 0.176110 3.787964 1.546445
H 0.078399 2.554936 -2.579633
H 1.304037 3.560983 -0.663073
H 2.445465 2.804936 1.497424
H 4.478736 -0.434322 -0.496801
H 4.619143 3.941154 1.871853
H 6.663905 0.707018 -0.106791
H 6.729592 2.897131 1.072174


%chk=000020764-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020764

0 1
O 2.364711 -1.160131 0.479607
N -4.138350 0.740488 -0.796982
N -1.777623 -4.820244 -0.341322
C -3.091999 -1.471309 -1.414451
C -2.320838 -2.671736 -0.922406
C -3.422203 -0.455752 -0.287004
C -0.952963 -2.689616 -0.426032
C -0.640360 -4.046972 -0.071669
C -2.783084 -3.988060 -0.853419
C -3.867650 1.967823 -0.015965
C 0.033520 -1.675314 -0.259235
C 0.624505 -4.415777 0.440261
C -5.578483 0.506676 -1.014303
C 1.292240 -2.050238 0.253304
C -2.440451 2.486910 -0.189457
C 1.586154 -3.405708 0.599981
C -1.787434 3.165457 0.869441
C -1.766337 2.345828 -1.429218
C 2.128167 0.265389 0.195358
C -0.492329 3.705383 0.691736
C -0.470328 2.878773 -1.608055
C 3.417599 1.018161 0.453217
C 0.171669 3.564286 -0.549240
C 3.391765 2.276447 1.102639
C 4.659728 0.491949 0.017440
C 4.585559 3.007924 1.300375
C 5.853596 1.218043 0.220918
C 5.820480 2.481429 0.858008
H -2.516255 -0.925953 -2.187959
H -4.029032 -1.806655 -1.898419
H -2.475959 -0.119496 0.171948
H -4.002897 -0.972643 0.516509
H -3.754726 -4.389281 -1.137630
H -4.080913 1.840116 1.076650
H -4.572193 2.744786 -0.377306
H -1.856727 -5.823826 -0.197439
H -0.193246 -0.639039 -0.526888
H 0.859633 -5.451505 0.709183
H -6.142978 0.306864 -0.068026
H -6.031914 1.386303 -1.505972
H -5.723579 -0.361437 -1.680170
H 2.581398 -3.628091 0.996415
H -2.294375 3.271805 1.837220
H -2.277326 1.810500 -2.237233
H 1.814695 0.374569 -0.865932
H 1.306360 0.651210 0.831752
H -0.004565 4.235074 1.518721
H 0.037490 2.766853 -2.573213
H 1.176038 3.979828 -0.689663
H 2.437085 2.679785 1.461543
H 4.681314 -0.493286 -0.459697
H 4.552835 3.979597 1.806379
H 6.809401 0.800030 -0.115186
H 6.747472 3.044680 1.014387


