%chk=000205676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205676

0 1
O 2.305479 -1.689132 1.918072
N 1.324752 0.162084 1.024744
N -4.679058 0.429954 -0.321755
C 2.304121 1.097903 1.638513
C 3.080566 1.856798 0.539271
C 0.411248 -2.086474 0.493292
C -3.459386 -0.254408 -0.135802
C 1.564053 2.083931 2.550199
C 3.908197 0.994288 -0.374964
C -0.926236 -1.450488 0.271384
C 1.422708 -1.212009 1.215818
C -5.221829 0.605532 -1.700216
C -5.707206 0.410777 0.752015
C -2.557614 -0.430570 -1.214716
C -3.062544 -0.695246 1.152795
C -1.314119 -1.019336 -1.005093
C -1.816134 -1.279779 1.344138
C 4.436265 -0.238575 0.034458
C 4.187999 1.465117 -1.670057
C -4.872131 2.000367 -2.221524
C -6.454388 -0.918677 0.865370
C 5.230988 -0.987652 -0.837191
C 4.984440 0.713154 -2.536524
C 5.509542 -0.515319 -2.123178
H 3.025850 0.489309 2.256651
H 2.373104 2.469498 -0.056711
H 3.758457 2.590217 1.029444
H 0.593108 0.564872 0.447212
H 0.870111 -2.413377 -0.466437
H 0.298204 -3.029033 1.078318
H 2.264972 2.748917 3.066419
H 0.994746 1.550081 3.322795
H 0.853526 2.711886 2.002470
H -4.822761 -0.173657 -2.389133
H -6.326054 0.469361 -1.695598
H -5.211467 0.656215 1.720603
H -6.422095 1.241490 0.553959
H -2.825063 -0.102721 -2.216031
H -3.727441 -0.573714 2.004633
H -0.636525 -1.145764 -1.849989
H -1.525742 -1.609965 2.342479
H 4.215462 -0.633534 1.031532
H 3.786014 2.418926 -2.002738
H -5.300559 2.785336 -1.586468
H -5.245785 2.147977 -3.239786
H -3.787004 2.166032 -2.231621
H -7.018220 -1.153226 -0.044096
H -5.765036 -1.755864 1.038333
H -7.165880 -0.902518 1.698348
H 5.632671 -1.945540 -0.508921
H 5.196812 1.085627 -3.536808
H 6.129882 -1.099572 -2.797909


%chk=000205676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205676

0 1
O 2.776596 -1.950145 2.258523
N 1.454591 -0.099915 1.751493
N -4.221191 0.243938 -0.718945
C 2.501686 0.904797 2.016455
C 2.714057 1.830808 0.791202
C 0.461811 -2.367935 1.548179
C -3.094854 -0.386055 -0.169633
C 2.165434 1.728004 3.281293
C 3.078326 1.149836 -0.526444
C -0.765476 -1.694574 0.960916
C 1.665213 -1.456216 1.883108
C -4.330866 0.507886 -2.166450
C -5.363380 0.654590 0.119111
C -1.937157 -0.676365 -0.963713
C -3.046382 -0.770966 1.209423
C -0.814522 -1.316157 -0.407253
C -1.908229 -1.402360 1.748251
C 3.747474 -0.100700 -0.581858
C 2.781385 1.808713 -1.748428
C -3.703058 1.852674 -2.606157
C -6.419764 -0.458118 0.325010
C 4.114641 -0.666132 -1.824784
C 3.149820 1.247996 -2.991508
C 3.821721 0.004184 -3.034433
H 3.418962 0.320515 2.213900
H 1.801806 2.445784 0.643795
H 3.516968 2.547675 1.062513
H 0.541657 0.209988 1.405487
H 0.862686 -3.138480 0.863480
H 0.210179 -2.898324 2.486020
H 2.972322 2.450812 3.502987
H 2.048609 1.061029 4.152548
H 1.224494 2.296089 3.150063
H -3.875088 -0.327661 -2.730036
H -5.405658 0.502892 -2.430774
H -4.993114 1.013785 1.097523
H -5.841925 1.527515 -0.364753
H -1.903950 -0.393879 -2.019749
H -3.906180 -0.599933 1.863469
H 0.051501 -1.516361 -1.051282
H -1.916315 -1.687606 2.808197
H 3.975203 -0.649844 0.338730
H 2.257445 2.773406 -1.724299
H -4.188931 2.699691 -2.088409
H -3.824197 2.001011 -3.695648
H -2.625332 1.884719 -2.369135
H -6.837689 -0.785647 -0.644309
H -5.976420 -1.341409 0.816506
H -7.254189 -0.091822 0.952062
H 4.629111 -1.633747 -1.845025
H 2.913046 1.777831 -3.921599
H 4.110123 -0.436317 -3.995623


