%chk=000294310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294310

0 1
O -1.297373 -1.493912 0.689049
N -2.118946 -0.183611 2.359120
N -3.884837 -0.731870 -0.223491
N -5.310625 0.471806 1.118878
C 3.772201 -0.491238 0.207512
C 5.095385 0.280485 0.299043
C 2.651887 0.224650 0.974476
C 6.214526 -0.435539 -0.469191
C 1.333939 -0.551564 0.877975
C 7.537648 0.335816 -0.377626
C 0.209400 0.155437 1.646911
C 8.657638 -0.379421 -1.147470
C -1.098005 -0.587878 1.486343
C -3.457537 -0.810394 2.284578
C -4.231472 -0.334563 1.092396
C 9.953113 0.373248 -1.064415
C -4.812017 -0.117940 -1.079161
C -5.703497 0.627471 -0.224681
C -4.973365 -0.135153 -2.477475
C -6.768652 1.358809 -0.788724
C 10.763996 0.564994 -2.103090
C -6.027705 0.594677 -2.996412
C -6.913902 1.331832 -2.163538
H 3.905821 -1.516409 0.604543
H 3.481875 -0.616234 -0.854002
H 5.387131 0.404501 1.359806
H 4.962646 1.305125 -0.099120
H 2.944046 0.348733 2.035190
H 2.520212 1.248944 0.574857
H 6.347585 -1.460734 -0.072752
H 5.923067 -0.558862 -1.530369
H 1.034580 -0.679584 -0.183192
H 1.461377 -1.581751 1.267864
H 7.828485 0.461634 0.683157
H 7.407749 1.359900 -0.779362
H 0.092409 1.195477 1.274524
H 0.485139 0.244927 2.717996
H 8.810117 -1.400668 -0.737498
H 8.351101 -0.529611 -2.202641
H -4.023680 -0.576868 3.220133
H -3.340625 -1.924163 2.238868
H -2.060574 0.680887 2.887561
H 10.201079 0.751571 -0.070637
H -3.080938 -1.296607 -0.479142
H -4.296470 -0.700061 -3.110331
H -7.441822 1.918151 -0.141896
H -6.195184 0.612758 -4.073031
H -7.725200 1.884945 -2.634559
H 11.702351 1.094438 -2.030923
H 10.557923 0.211820 -3.102346


%chk=000294310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294310

0 1
O -1.378500 -1.086223 -0.147663
N -2.000086 -0.237357 1.917064
N -4.126008 -0.533859 -0.410526
N -5.484281 0.130056 1.307909
C 3.969259 -0.485736 0.219500
C 5.277785 0.332019 0.133901
C 2.734047 0.374614 0.568574
C 6.511921 -0.527922 -0.219488
C 1.428918 -0.448056 0.632691
C 7.818578 0.291535 -0.311591
C 0.197622 0.420940 0.987685
C 9.052304 -0.579266 -0.671242
C -1.110146 -0.360141 0.869906
C -3.288856 -0.971766 1.939154
C -4.312394 -0.440848 0.971448
C 10.341239 0.214548 -0.707870
C -5.251925 0.026839 -1.022040
C -6.100893 0.434068 0.069607
C -5.616989 0.218143 -2.371461
C -7.349046 1.043021 -0.195307
C 11.173390 0.318159 -1.774845
C -6.865872 0.829259 -2.612226
C -7.718699 1.234937 -1.542328
H 4.086235 -1.286606 0.979206
H 3.794146 -0.999438 -0.748559
H 5.454074 0.845686 1.102336
H 5.160089 1.133042 -0.625500
H 2.905412 0.883614 1.540539
H 2.622665 1.178753 -0.188948
H 6.633272 -1.327531 0.541349
H 6.334339 -1.043999 -1.186117
H 1.237382 -0.937542 -0.340529
H 1.536047 -1.259831 1.379959
H 8.001619 0.803444 0.656194
H 7.705997 1.090647 -1.071348
H 0.143264 1.266850 0.272929
H 0.311351 0.857559 1.999170
H 9.139564 -1.388641 0.085371
H 8.887380 -1.073603 -1.648573
H -3.714781 -0.904057 2.951865
H -3.075161 -2.033149 1.712144
H -1.791166 0.406739 2.681206
H 10.597825 0.749507 0.221372
H -3.249335 -0.891495 -0.813818
H -4.969581 -0.092287 -3.198030
H -7.998904 1.351949 0.629208
H -7.190309 0.995690 -3.645580
H -8.680225 1.704643 -1.777112
H 12.091613 0.915221 -1.734498
H 10.957819 -0.193727 -2.721384


