%chk=000108966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108966

0 1
O 2.875439 -3.051474 1.037597
O -7.383066 0.701388 -1.567176
O -7.829375 -0.209034 0.422550
N 5.052922 1.029497 0.321335
N 1.021580 -1.697873 0.701718
N -0.564461 0.818698 -0.008933
N -1.326117 -0.153491 0.246475
C 3.673206 0.903816 0.185688
C 5.753715 2.253255 -0.159318
C 5.912198 -0.180704 0.470033
C 3.032776 -0.329204 0.448887
C 2.864027 2.040539 -0.132448
C 1.642716 -0.454434 0.422469
C 5.886103 2.315698 -1.679678
C 6.135637 -0.927103 -0.842823
C 0.829851 0.688856 0.102171
C 1.495177 1.921417 -0.164478
C 1.668933 -2.928424 0.995592
C -2.744470 0.048722 0.075397
C 0.707698 -4.055685 1.246258
C -3.575838 -0.428840 1.108950
C -3.297650 0.576368 -1.105946
C -5.514523 0.137508 -0.233018
C -4.957107 -0.381244 0.950777
C -4.682150 0.616876 -1.257375
C -6.981683 0.163384 -0.358522
H 5.205617 3.148452 0.218926
H 6.760779 2.282689 0.315924
H 6.884741 0.138879 0.906582
H 5.438262 -0.860933 1.220789
H 3.642171 -1.210153 0.690354
H 3.327539 3.001437 -0.339029
H 6.421962 3.217791 -1.994638
H 4.906076 2.322602 -2.174743
H 6.434278 1.446088 -2.072494
H 6.791769 -1.793006 -0.696184
H 6.591272 -0.283180 -1.607724
H 5.190706 -1.305739 -1.257806
H 0.877815 2.795206 -0.404357
H -0.015819 -1.706252 0.687722
H 0.060220 -4.259215 0.381483
H 1.264277 -4.984516 1.456747
H 0.057195 -3.869184 2.112489
H -3.135315 -0.826464 2.022709
H -2.643744 0.954631 -1.891872
H -5.620012 -0.744613 1.742165
H -5.129148 1.023292 -2.169808
H -8.373480 0.721778 -1.654715


%chk=000108966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108966

0 1
O 2.695914 -2.955951 1.358251
O -7.482712 1.152613 -0.865596
O -7.716563 -1.008613 -0.048163
N 5.101204 1.045600 0.107081
N 0.940543 -1.513780 0.731795
N -0.544338 0.838714 -0.244375
N -1.248378 -0.235962 0.113078
C 3.717499 0.950997 0.010425
C 5.822394 2.252849 -0.361659
C 5.914940 -0.095426 0.597658
C 3.043217 -0.248393 0.403860
C 2.923819 2.057733 -0.469224
C 1.641416 -0.355029 0.350949
C 6.008412 2.324960 -1.896208
C 6.199392 -1.181700 -0.465862
C 0.841704 0.767831 -0.121445
C 1.538484 1.951084 -0.520053
C 1.457322 -2.720420 1.203645
C -2.656046 -0.104635 -0.034753
C 0.382693 -3.755407 1.527488
C -3.434377 -1.235226 0.345173
C -3.308973 1.063072 -0.530986
C -5.482809 -0.041169 -0.260536
C -4.833036 -1.204270 0.233750
C -4.706834 1.090001 -0.640921
C -6.960551 -0.054042 -0.361042
H 5.295580 3.155627 -0.000054
H 6.812418 2.256063 0.127953
H 6.870510 0.318598 0.967067
H 5.411177 -0.549168 1.470377
H 3.586729 -1.124885 0.754276
H 3.394664 2.988235 -0.793375
H 6.523224 3.263643 -2.172268
H 5.036625 2.297706 -2.418526
H 6.615421 1.479411 -2.263272
H 6.789700 -2.000072 -0.014958
H 6.772029 -0.770837 -1.315746
H 5.263024 -1.615766 -0.854752
H 0.924636 2.784786 -0.876061
H -0.107348 -1.377974 0.614976
H -0.232610 -3.979259 0.636596
H 0.869306 -4.679575 1.870900
H -0.292902 -3.386613 2.321302
H -2.919621 -2.124477 0.724775
H -2.696926 1.921891 -0.818693
H -5.444983 -2.065148 0.521803
H -5.219248 1.978755 -1.019975
H -8.473044 1.071730 -0.905973


