%chk=000199127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199127

0 1
O -2.124934 -0.565977 0.589980
N -6.842616 0.203772 0.246486
C -5.516193 0.876038 0.060402
C -4.408623 -0.107351 0.473084
C -7.933735 1.187047 0.506316
C -7.150898 -0.726605 -0.889125
C -3.039291 0.563937 0.434777
C 3.501246 0.015090 0.797599
C 4.115233 -0.143204 -0.605177
C -8.212818 2.204639 -0.603792
C -8.240005 -1.717776 -0.476369
C 2.003170 -0.094950 0.742941
C -0.774544 -0.306130 0.629399
C 5.614013 -0.032671 -0.547606
C 1.212654 1.047237 0.575007
C 1.383073 -1.355745 0.851390
C -0.183127 0.956879 0.517014
C 0.000719 -1.474123 0.797174
C 6.237202 1.216701 -0.691643
C 6.400077 -1.176994 -0.340833
C 7.629635 1.317215 -0.632974
C 7.792089 -1.070994 -0.282940
C 8.410294 0.174939 -0.429137
H -5.473293 1.775106 0.713796
H -5.350850 1.231793 -0.978828
H -4.405897 -1.001370 -0.185213
H -4.615027 -0.510483 1.486960
H -8.858170 0.604357 0.721612
H -7.680815 1.717951 1.451565
H -7.453611 -0.189947 -1.814347
H -6.222354 -1.290181 -1.136480
H -2.825270 1.053893 -0.529847
H -2.881352 1.264801 1.271108
H 3.807900 0.988274 1.232577
H 3.924515 -0.750076 1.480327
H 3.690518 0.620757 -1.287929
H 3.809489 -1.116783 -1.040028
H -7.351362 2.852388 -0.794018
H -8.468974 1.712072 -1.548809
H -9.054981 2.852632 -0.337013
H -8.006872 -2.172858 0.496284
H -9.219118 -1.236250 -0.380357
H -8.333476 -2.525129 -1.209698
H 1.683685 2.025975 0.487354
H 1.995063 -2.248446 0.979696
H -0.775189 1.855210 0.388464
H -0.497053 -2.437093 0.881452
H 5.635773 2.109286 -0.849046
H 5.925417 -2.148939 -0.224965
H 8.107771 2.288607 -0.746606
H 8.396923 -1.962057 -0.123570
H 9.493789 0.255135 -0.384613


%chk=000199127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199127

0 1
O -2.122754 -0.862922 0.575019
N -6.933481 0.219419 0.249739
C -5.547901 0.717231 0.068723
C -4.477933 -0.356205 0.377521
C -7.903673 1.296341 0.580757
C -7.364012 -0.699354 -0.835286
C -3.068930 0.240750 0.336963
C 3.574334 0.068840 0.789022
C 4.246182 -0.194959 -0.600223
C -8.205560 2.331454 -0.539130
C -8.691662 -1.420278 -0.536527
C 2.068338 -0.137504 0.755793
C -0.753133 -0.549532 0.616901
C 5.753275 0.002929 -0.556444
C 1.183125 0.937470 0.503855
C 1.503962 -1.429943 0.937628
C -0.216779 0.748855 0.431892
C 0.114725 -1.640958 0.871225
C 6.328621 1.275385 -0.810222
C 6.617386 -1.069945 -0.214894
C 7.725470 1.472422 -0.724617
C 8.014920 -0.879236 -0.127718
C 8.574685 0.394571 -0.381835
H -5.406487 1.565337 0.768397
H -5.372104 1.121706 -0.962328
H -4.526236 -1.187130 -0.349867
H -4.676301 -0.781798 1.377123
H -8.849363 0.821736 0.900653
H -7.510447 1.826968 1.469441
H -7.440384 -0.174430 -1.822742
H -6.574039 -1.463644 -0.951875
H -2.858326 0.704525 -0.650796
H -2.943045 1.015021 1.123586
H 3.816688 1.102506 1.101770
H 4.040558 -0.605669 1.532860
H 3.786316 0.484660 -1.342768
H 4.000122 -1.227176 -0.914795
H -7.288645 2.856736 -0.863663
H -8.657461 1.852163 -1.426726
H -8.918191 3.092302 -0.169650
H -8.642166 -1.918819 0.447794
H -9.553295 -0.728658 -0.532558
H -8.886184 -2.187421 -1.308269
H 1.590467 1.947190 0.366219
H 2.164579 -2.281750 1.143106
H -0.867053 1.607536 0.240132
H -0.321699 -2.633834 1.018208
H 5.676331 2.114986 -1.082925
H 6.190535 -2.062772 -0.023023
H 8.151577 2.461613 -0.928570
H 8.666458 -1.721391 0.132789
H 9.658391 0.544274 -0.317862


