%chk=000203176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203176

0 1
O -2.058988 1.180395 0.154868
O 4.659000 -0.132977 -0.164157
O 2.302122 -3.569731 -0.829719
O 4.635858 -2.348182 -0.606069
N -6.274329 0.612012 -0.055630
N -1.675105 -1.052830 -0.289263
C -6.872948 0.265453 1.276165
C -7.067966 1.683336 -0.744438
C -8.313153 -0.238378 1.084824
C -8.512152 1.201572 -0.962480
C -9.171412 0.809373 0.365372
C -4.838978 1.012115 0.088409
C -3.985697 -0.259034 -0.099473
C -2.514550 0.078113 -0.056292
C -0.255146 -1.066609 -0.306629
C 8.053365 1.414575 0.097616
C 6.528276 1.264187 0.081630
C 8.465485 2.868679 0.367520
C 6.132114 -0.182016 -0.187019
C 0.366985 -2.299541 -0.558783
C 0.518343 0.100039 -0.080420
C 2.561303 -1.197452 -0.357889
C 1.770295 -2.355605 -0.582480
C 9.983647 3.028258 0.385207
C 1.897902 0.024447 -0.107990
C 4.008984 -1.311467 -0.393561
H -6.254815 -0.538422 1.729928
H -6.864027 1.121809 1.985077
H -6.591226 1.878979 -1.729750
H -7.070107 2.642676 -0.183611
H -8.299482 -1.176364 0.494234
H -8.752140 -0.491957 2.066553
H -9.095233 1.993470 -1.466390
H -8.508493 0.329758 -1.647409
H -9.301256 1.702071 1.005858
H -10.186782 0.411165 0.183814
H -4.554294 1.756663 -0.688268
H -4.598777 1.488609 1.063632
H -4.266419 -0.738170 -1.064151
H -4.245105 -1.006228 0.679353
H -2.126320 -1.956045 -0.469649
H 8.479513 1.078729 -0.868119
H 8.493522 0.752344 0.868799
H 6.077950 1.924705 -0.687233
H 6.091880 1.599180 1.044722
H 8.028466 3.533838 -0.403266
H 8.042525 3.207428 1.333889
H 6.456495 -0.887400 0.596206
H 6.441559 -0.553657 -1.178246
H -0.190380 -3.215055 -0.737520
H 0.020372 1.055986 0.114369
H 10.269497 4.068651 0.578330
H 10.432838 2.738328 -0.571650
H 10.446914 2.412171 1.164447
H 2.505361 0.919538 0.065206
H 3.340009 -3.561632 -0.837676


%chk=000203176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203176

0 1
O -2.221888 1.449617 0.085528
O 4.690925 0.019721 -0.120456
O 2.286503 -3.446247 -0.618782
O 4.585162 -2.280332 -0.452908
N -6.452018 0.608530 -0.154446
N -1.724623 -0.828356 -0.225608
C -6.983291 0.033203 1.109051
C -7.334431 1.697683 -0.652419
C -8.399263 -0.544417 0.906983
C -8.760809 1.174320 -0.917612
C -9.357574 0.536310 0.357877
C -5.037082 1.039875 -0.037136
C -4.078764 -0.166440 -0.084340
C -2.604393 0.254000 -0.063176
C -0.306616 -0.842376 -0.236580
C 8.281994 1.331995 0.075531
C 6.734870 1.319572 0.081080
C 8.866637 2.746672 0.291274
C 6.183916 -0.088549 -0.136546
C 0.320842 -2.097960 -0.419187
C 0.479083 0.341038 -0.070586
C 2.530351 -1.015956 -0.268986
C 1.727049 -2.198697 -0.437724
C 10.410171 2.764219 0.284981
C 1.874625 0.233153 -0.089090
C 3.987855 -1.156130 -0.289475
H -6.303072 -0.766530 1.456052
H -7.014026 0.812806 1.917310
H -6.897364 2.098372 -1.586063
H -7.387612 2.545038 0.082459
H -8.340011 -1.386147 0.190110
H -8.772964 -0.946736 1.868428
H -9.397584 2.007120 -1.273447
H -8.715588 0.416478 -1.723643
H -9.505551 1.321816 1.127987
H -10.352623 0.101533 0.145506
H -4.803095 1.704971 -0.887527
H -4.845056 1.634075 0.888213
H -4.298037 -0.751318 -0.999563
H -4.266239 -0.843272 0.773414
H -2.169397 -1.741635 -0.352141
H 8.655067 0.926960 -0.888213
H 8.664700 0.655589 0.867971
H 6.350901 1.987755 -0.713582
H 6.358838 1.713617 1.044750
H 8.483675 3.423165 -0.499496
H 8.494440 3.151298 1.254364
H 6.489725 -0.790038 0.661258
H 6.490574 -0.515307 -1.109238
H -0.260034 -3.017689 -0.549408
H -0.019253 1.300601 0.066234
H 10.802092 3.785315 0.444756
H 10.808330 2.396956 -0.679687
H 10.818220 2.117212 1.084337
H 2.492261 1.127109 0.037429
H 3.304749 -3.333665 -0.605017


