%chk=000193999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193999

0 1
O 0.292127 1.746717 -0.934884
O 2.568305 -0.881937 -1.154018
O -4.042857 -0.049435 0.265632
O -7.530601 2.873565 0.439136
O 6.319762 -0.194170 0.802234
N 1.108375 0.468405 0.759967
N -2.242278 0.993923 -0.676729
N 4.397161 0.495040 -1.019328
N -5.916817 1.688138 -0.709792
N -1.323192 -2.878356 1.134259
N -1.846269 -4.639083 -0.306180
N 7.857566 -1.757755 0.275803
C 2.517376 0.882019 0.546270
C 3.217703 0.563060 1.882006
C 1.007751 -0.564130 1.833248
C 2.360281 -0.516854 2.570591
C -1.239413 0.107701 -0.034850
C 0.114715 0.841657 -0.126090
C 3.131363 0.048061 -0.604498
C -1.130404 -1.249795 -0.761828
C -4.512042 1.871763 -1.140191
C -1.994659 -2.303809 -0.071339
C -4.163423 3.349504 -0.811335
C -3.598608 0.851552 -0.431427
C -5.443496 3.978429 -0.242570
C -6.438656 2.840223 -0.078998
C 5.203743 -0.373566 -1.904633
C -2.252389 -3.563803 -0.925923
C 5.845997 -1.553541 -1.146272
C -1.275999 -4.175590 0.965747
C 6.659660 -1.091594 0.039494
H 2.551533 1.970896 0.279127
H 4.264496 0.221646 1.743451
H 3.276250 1.473208 2.506682
H 0.817535 -1.570395 1.396379
H 0.156342 -0.325250 2.503935
H 2.222606 -0.286753 3.641141
H 2.860483 -1.500844 2.525360
H -1.537754 -0.056322 1.040762
H -1.432980 -1.143226 -1.823613
H -0.066830 -1.584725 -0.806039
H -4.455003 1.685773 -2.246353
H -1.860704 1.709940 -1.308058
H -2.984136 -1.850526 0.255367
H -3.336444 3.423069 -0.081266
H -3.824311 3.879702 -1.718359
H -5.862603 4.755466 -0.909708
H -5.273106 4.475516 0.730734
H 4.960103 1.056647 -0.366200
H -6.218859 0.750112 -0.442920
H 4.546755 -0.777764 -2.713935
H 5.985244 0.253554 -2.387486
H -2.727292 -3.532162 -1.897256
H 6.429229 -2.169086 -1.857267
H 5.034703 -2.225558 -0.774366
H -0.873075 -4.914386 1.651959
H 8.426810 -1.498196 1.068905
H 8.204526 -2.504471 -0.296977


%chk=000193999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193999

0 1
O 0.517393 1.177655 -0.467639
O 2.510609 -1.751203 -0.469750
O -4.224964 0.004349 0.021863
O -6.907624 4.125746 -0.539521
O 6.335622 1.633265 -0.532740
N 0.935895 -0.236211 1.321975
N -2.088340 0.828406 -0.408719
N 4.088690 -0.032347 -0.527609
N -5.416546 2.326590 -0.888329
N -2.065879 -3.101616 1.445026
N -2.654690 -4.891402 0.021546
N 8.330372 0.785939 -1.341019
C 2.394491 0.020393 1.254187
C 2.929857 -0.634233 2.561014
C 0.568569 -1.178511 2.420632
C 1.929146 -1.789215 2.820320
C -1.337852 -0.224471 0.297549
C 0.113658 0.299089 0.374732
C 2.984909 -0.664330 -0.008782
C -1.364828 -1.600559 -0.455565
C -4.025200 2.075086 -1.277495
C -2.457466 -2.543941 0.112603
C -3.344388 3.466548 -1.058366
C -3.449522 0.886009 -0.482675
C -4.511543 4.473637 -1.219916
C -5.772053 3.667359 -0.835298
C 4.817210 -0.538950 -1.697408
C -2.778566 -3.781525 -0.696604
C 6.332567 -0.670546 -1.422405
C -2.212732 -4.407509 1.318573
C 6.982133 0.675342 -1.065926
H 2.590313 1.106584 1.207671
H 3.971920 -0.977847 2.454061
H 2.892919 0.103926 3.383426
H -0.167896 -1.931767 2.094568
H 0.124697 -0.607800 3.261966
H 1.935969 -2.135385 3.867132
H 2.159734 -2.641944 2.159375
H -1.766453 -0.365607 1.307545
H -1.563642 -1.399455 -1.523122
H -0.378739 -2.095647 -0.393297
H -3.964798 1.795496 -2.353803
H -1.474760 1.530168 -0.852310
H -3.377526 -1.924973 0.252890
H -2.937541 3.520304 -0.032720
H -2.518154 3.642107 -1.767775
H -4.620784 4.825144 -2.263228
H -4.424761 5.363105 -0.576364
H 4.427127 0.866763 -0.162784
H -6.033386 1.559863 -0.612670
H 4.384282 -1.522124 -1.948892
H 4.653086 0.137275 -2.558895
H -3.107402 -3.805583 -1.738830
H 6.829007 -1.116564 -2.305346
H 6.488463 -1.364584 -0.573248
H -2.015299 -5.122914 2.118179
H 8.811451 1.649041 -1.085882
H 8.857546 0.035782 -1.784401


