%chk=000278990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278990

0 1
O -0.760523 -1.249808 -2.089473
O 0.921170 -1.401292 2.382019
O -1.264246 -5.159119 0.796436
O 5.871726 3.276815 1.636991
O -5.850720 1.519142 0.292078
N 1.841330 0.193633 -0.742627
N -0.336453 1.210078 -0.638573
C 0.547327 0.186309 0.028452
C 1.487472 0.624936 -2.135435
C 0.151036 1.397269 -2.047166
C 0.035553 -1.230700 0.117848
C 2.870618 1.025619 -0.129562
C -1.748539 1.179829 -0.413833
C -0.620449 -1.939355 -0.911548
C 0.261967 -1.950613 1.317155
C 4.091731 0.390153 0.134320
C -2.261198 0.697991 0.808731
C 2.688601 2.385626 0.199157
C -2.637684 1.767151 -1.346146
C -1.091339 -3.253558 -0.747451
C -0.183589 -3.256275 1.533036
C -0.866188 -3.887142 0.481699
C 5.140925 1.098601 0.729078
C -3.623786 0.788636 1.098840
C 3.718587 3.102171 0.790906
C -3.995216 1.863562 -1.066712
C 4.942326 2.445894 1.050062
C -4.480238 1.367966 0.157939
C -1.567321 -1.835671 -3.143381
C -1.978027 -5.925796 -0.205556
C 7.167968 2.719658 1.961170
C -6.448848 1.091596 1.536748
H 0.719821 0.568231 1.082911
H 2.290565 1.220167 -2.604420
H 1.360236 -0.309478 -2.728461
H -0.567438 1.019505 -2.803108
H 0.288811 2.485529 -2.209445
H 4.220514 -0.662690 -0.126029
H -1.602014 0.244856 1.546977
H 1.731672 2.870518 -0.010636
H -2.268421 2.161511 -2.290195
H -1.604503 -3.764548 -1.547583
H -0.000002 -3.764038 2.475281
H 6.081845 0.598037 0.929983
H -3.994403 0.407952 2.045600
H 3.607275 4.150933 1.057593
H -4.688142 2.316438 -1.772405
H 1.294244 -0.492901 2.175916
H -1.528574 -1.055956 -3.914219
H -1.110654 -2.763814 -3.498072
H -2.593190 -1.987052 -2.792806
H -1.344286 -6.084725 -1.082521
H -2.160567 -6.869604 0.325409
H -2.918908 -5.430761 -0.461961
H 7.677432 2.387783 1.052147
H 7.678569 3.584494 2.404813
H 7.063016 1.910808 2.689850
H -6.314889 0.014901 1.673776
H -6.037326 1.662510 2.374033
H -7.505856 1.338788 1.375672


%chk=000278990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278990

0 1
O -2.067880 -1.839434 -0.253768
O 2.693899 -2.724930 -0.232799
O -0.260524 -6.417461 -0.787913
O 4.179148 4.022868 2.487289
O -4.578314 3.713507 -0.141787
N 1.927258 -0.329829 -0.425061
N -0.248140 0.172898 -1.171254
C 0.474017 -0.681310 -0.184744
C 1.984942 -0.184856 -1.929451
C 0.642065 0.492047 -2.310545
C 0.283013 -2.208256 -0.356376
C 2.472184 0.804775 0.320664
C -1.344156 1.006595 -0.870026
C -1.023902 -2.765235 -0.411671
C 1.377276 -3.141216 -0.369536
C 3.877058 0.865811 0.465677
C -2.000200 1.000996 0.395020
C 1.674736 1.826549 0.900657
C -1.836852 1.916911 -1.857181
C -1.266586 -4.150331 -0.569781
C 1.158527 -4.529396 -0.517973
C -0.151811 -5.023882 -0.631702
C 4.493587 1.922470 1.170366
C -3.069016 1.881029 0.674620
C 2.278707 2.874368 1.618662
C -2.902385 2.791149 -1.580853
C 3.687845 2.931207 1.755150
C -3.522720 2.790427 -0.310195
C -3.446306 -2.290046 -0.429978
C -1.603331 -6.984192 -0.904638
C 5.630207 4.121300 2.660712
C -5.222726 3.751190 1.168558
H 0.196671 -0.386380 0.843001
H 2.862560 0.411503 -2.218457
H 2.068189 -1.193680 -2.367695
H 0.257680 0.103012 -3.273254
H 0.762078 1.590726 -2.402811
H 4.494851 0.067702 0.038059
H -1.716944 0.274437 1.159814
H 0.585813 1.825475 0.789947
H -1.400438 1.930784 -2.860291
H -2.287782 -4.531488 -0.618914
H 2.012989 -5.208679 -0.535903
H 5.582870 1.935817 1.269303
H -3.537219 1.838114 1.663229
H 1.675304 3.666683 2.071608
H -3.270265 3.482407 -2.345677
H 2.634707 -1.671281 -0.180910
H -4.054287 -1.378736 -0.326482
H -3.599560 -2.729911 -1.434394
H -3.735719 -3.024880 0.347408
H -2.138108 -6.581651 -1.787613
H -1.448846 -8.066361 -1.028867
H -2.203464 -6.798285 0.008159
H 6.147661 4.210244 1.685460
H 5.787665 5.037474 3.248319
H 6.029823 3.249675 3.214910
H -5.705741 2.783672 1.413659
H -4.501346 4.012254 1.968757
H -5.989961 4.536333 1.092795


