%chk=000213655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213655

0 1
O -1.050571 -2.417939 -0.969782
O 4.487638 0.510562 0.027537
N -4.385994 -0.049862 0.049554
C -5.597014 -0.801822 0.519817
C -4.750454 0.942735 -1.015439
C -6.632012 0.180804 1.093232
C -5.770758 1.952248 -0.463297
C -7.025587 1.238261 0.054485
C -3.331416 -0.996287 -0.440172
C -1.955670 -0.344011 -0.219375
C -0.830077 -1.291245 -0.564632
C 0.566098 -0.799506 -0.402857
C 0.876473 0.456589 0.153279
C 2.194617 0.879643 0.289770
C 1.606170 -1.641150 -0.824205
C 3.227275 0.005176 -0.150933
C 2.525609 2.223636 0.876375
C 2.940443 -1.249106 -0.704314
C 2.300686 3.348079 -0.134091
C 5.632961 -0.315586 -0.363125
C 6.821898 0.572964 -0.000154
C 8.137777 -0.110707 -0.348719
H -5.270614 -1.502378 1.319232
H -6.060925 -1.413815 -0.283196
H -5.155083 0.459445 -1.931025
H -3.822855 1.476833 -1.313645
H -7.522033 -0.375803 1.437198
H -6.206533 0.679008 1.987555
H -5.305860 2.529821 0.360676
H -6.035645 2.682016 -1.248956
H -7.568842 0.764836 -0.784858
H -7.724227 1.969562 0.500475
H -3.373049 -1.948069 0.136029
H -3.448020 -1.285130 -1.506851
H -1.876906 -0.017377 0.840870
H -1.870149 0.585890 -0.816573
H 0.075756 1.118252 0.489737
H 1.358377 -2.619439 -1.251403
H 3.584636 2.236533 1.218058
H 1.917059 2.400600 1.786488
H 3.727010 -1.916760 -1.038998
H 2.921526 3.205966 -1.027530
H 2.556361 4.322827 0.295087
H 1.257575 3.392282 -0.465962
H 5.605005 -1.253163 0.215956
H 5.564920 -0.520887 -1.444068
H 6.783901 0.822392 1.080308
H 6.733312 1.545434 -0.527357
H 8.263928 -1.056545 0.191743
H 8.991272 0.527386 -0.086166
H 8.215310 -0.328093 -1.420780


%chk=000213655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213655

0 1
O -1.085735 -2.421606 -1.024820
O 4.510196 0.636486 0.027444
N -4.508165 -0.133021 0.103753
C -5.729950 -0.932905 0.387106
C -4.817133 1.011015 -0.793141
C -6.822050 -0.067324 1.047819
C -5.882168 1.938947 -0.173985
C -7.167719 1.148607 0.159175
C -3.405744 -0.983350 -0.415195
C -2.030372 -0.314744 -0.241168
C -0.866881 -1.243465 -0.601991
C 0.532679 -0.736701 -0.442780
C 0.834726 0.558818 0.064448
C 2.157280 1.018186 0.217237
C 1.609294 -1.588005 -0.802116
C 3.216529 0.132841 -0.153896
C 2.461325 2.413471 0.737502
C 2.941518 -1.163816 -0.661382
C 2.844980 3.404373 -0.394670
C 5.659350 -0.235305 -0.294104
C 6.928933 0.558025 0.023547
C 8.201163 -0.262723 -0.282544
H -5.448059 -1.766170 1.057626
H -6.143766 -1.387759 -0.553039
H -5.183542 0.645404 -1.790938
H -3.888537 1.581939 -0.977247
H -7.721109 -0.686672 1.231943
H -6.449037 0.286103 2.028765
H -5.471421 2.384285 0.752931
H -6.101638 2.766275 -0.876466
H -7.635828 0.794585 -0.783015
H -7.906546 1.801033 0.662233
H -3.403191 -1.932007 0.150920
H -3.556101 -1.262962 -1.486787
H -1.930398 0.017137 0.811729
H -1.949821 0.603570 -0.857221
H 0.021852 1.233368 0.356963
H 1.371606 -2.584645 -1.188669
H 3.296979 2.366325 1.459894
H 1.577093 2.800138 1.278472
H 3.754264 -1.839009 -0.943206
H 3.748459 3.054912 -0.923336
H 3.055223 4.407135 0.020589
H 2.027296 3.500907 -1.131797
H 5.604276 -1.160398 0.316428
H 5.623274 -0.514217 -1.367664
H 6.909662 0.851939 1.089453
H 6.924384 1.492276 -0.568327
H 8.236059 -1.191967 0.316531
H 9.107838 0.321669 -0.047330
H 8.251973 -0.545895 -1.350680


