%chk=000262005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262005

0 1
O 0.032318 -0.017113 -1.425551
O 4.400653 1.383102 -2.581448
N 2.870220 1.224196 -0.922228
C -0.746641 -0.054171 -0.208949
C -0.173248 0.991315 0.755439
C -0.711082 -1.462228 0.377169
C -2.147669 0.330655 -0.682812
C 1.204760 1.238817 0.876451
C -1.058516 1.723615 1.565557
C 2.236089 0.511911 0.090726
C -0.888659 -2.549525 -0.494030
C -3.292703 -0.205744 -0.077964
C -0.522863 -1.695853 1.744495
C -2.278233 1.239393 -1.742816
C 1.675740 2.205648 1.783269
C -0.589020 2.680521 2.465604
C 0.783849 2.924937 2.576687
C -0.860215 -3.855791 -0.002750
C -4.560416 0.171889 -0.529299
C -0.497073 -3.006133 2.234105
C -3.548022 1.610965 -2.192429
C 2.606508 -0.787179 0.357111
C -0.662278 -4.086521 1.363291
C -4.690284 1.080158 -1.584976
C 3.927851 0.651773 -1.731980
C 3.643572 -1.398895 -0.409867
C 4.274084 -0.718093 -1.406797
H -2.135370 1.552578 1.490643
H -1.058739 -2.365575 -1.557521
H -3.201549 -0.922107 0.738559
H -0.395831 -0.863169 2.437435
H -1.380672 1.640042 -2.220755
H 2.748451 2.387652 1.868765
H 0.745057 -0.695050 -1.422621
H -1.294141 3.239791 3.080595
H 1.153678 3.672440 3.277396
H -0.996581 -4.695182 -0.683406
H -5.448693 -0.246479 -0.059311
H -0.348731 -3.182283 3.298580
H -3.645776 2.313608 -3.018464
H 2.561011 2.175666 -1.145632
H 2.123750 -1.349514 1.152670
H -0.640451 -5.105560 1.746393
H -5.678995 1.370913 -1.935245
H 3.918513 -2.430079 -0.174821
H 5.067846 -1.156243 -2.010170


%chk=000262005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262005

0 1
O -0.047545 -0.153838 -1.546519
O 4.962590 1.660283 -2.171753
N 3.131677 1.275687 -0.765605
C -0.788837 -0.118705 -0.258350
C -0.174380 0.958599 0.688050
C -0.767529 -1.526068 0.383192
C -2.222214 0.277255 -0.684792
C 1.230353 1.220816 0.778586
C -1.044817 1.729493 1.500518
C 2.296348 0.491062 0.019582
C -0.912632 -2.654844 -0.465918
C -3.369354 -0.274396 -0.066638
C -0.638901 -1.732097 1.778373
C -2.388378 1.248446 -1.704323
C 1.695361 2.256047 1.638550
C -0.572131 2.739718 2.364428
C 0.810262 3.012289 2.431837
C -0.911563 -3.960446 0.068533
C -4.664411 0.136413 -0.460445
C -0.639766 -3.041378 2.315452
C -3.680125 1.655585 -2.100071
C 2.569744 -0.875021 0.111819
C -0.772548 -4.160256 1.463240
C -4.824924 1.103719 -1.477336
C 4.281338 0.825868 -1.499805
C 3.694609 -1.413578 -0.603832
C 4.518379 -0.608609 -1.378451
H -2.121773 1.550506 1.434257
H -1.025567 -2.493362 -1.542968
H -3.257163 -1.033463 0.715000
H -0.534947 -0.873865 2.450841
H -1.501083 1.658770 -2.194707
H 2.773820 2.441689 1.705444
H 0.839905 -0.573533 -1.385284
H -1.281856 3.314179 2.969348
H 1.196490 3.796312 3.091493
H -1.022790 -4.821628 -0.599976
H -5.543619 -0.302769 0.024378
H -0.535665 -3.183697 3.397020
H -3.794709 2.401039 -2.895161
H 2.920770 2.274498 -0.871899
H 1.958977 -1.505928 0.758984
H -0.770958 -5.174293 1.878321
H -5.827946 1.420017 -1.785341
H 3.902167 -2.486632 -0.523349
H 5.376843 -1.006787 -1.925623


