%chk=000210631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210631

0 1
O 0.363706 0.212852 1.351450
O -3.213777 0.341511 1.617922
O -1.072416 1.798658 2.091544
N 3.320687 1.666194 0.322040
C 3.313292 0.894338 -0.966394
C 2.643383 -0.489007 -0.772762
C 4.740664 0.550446 -1.459471
C 3.248185 -1.389378 -1.860842
C 4.597306 -0.756150 -2.261534
C 1.931841 1.998696 0.773868
C 4.192025 2.878137 0.289486
C 1.516759 0.980663 1.843418
C 3.837980 3.937778 -0.756773
C -2.017779 -0.170245 1.009276
C -0.878269 0.730354 1.557208
C -1.919681 -1.620615 1.446781
C -2.123589 -0.039486 -0.503423
C -0.752851 -2.360104 1.208094
C -3.394947 0.085526 -1.081291
C -3.018823 -2.230065 2.068142
C -0.986806 -0.072958 -1.319836
C -0.688701 -3.702254 1.589950
C -3.524406 0.189948 -2.468429
C -2.948397 -3.572845 2.449366
C -1.120191 0.030254 -2.706775
C -1.785297 -4.310714 2.209871
C -2.387617 0.164062 -3.282952
H 2.774917 1.455532 -1.771620
H 2.873094 -0.888454 0.232725
H 1.539326 -0.427687 -0.835589
H 5.170213 1.359620 -2.067977
H 5.419296 0.399446 -0.599631
H 2.576603 -1.459194 -2.733139
H 3.383603 -2.419331 -1.492218
H 5.435607 -1.439693 -2.048275
H 4.627634 -0.557804 -3.345888
H 1.885021 3.022855 1.205421
H 1.188403 1.995472 -0.054272
H 5.239383 2.532558 0.139281
H 4.170026 3.329921 1.307403
H 2.261695 0.175739 1.998504
H 1.247733 1.453098 2.802323
H 3.930341 3.550798 -1.777651
H 2.812914 4.305648 -0.639779
H 4.504295 4.804205 -0.677032
H -3.179655 1.332431 1.691267
H 0.110270 -1.887453 0.734048
H -4.278943 0.095853 -0.438633
H -3.925697 -1.648880 2.256395
H 0.015364 -0.186418 -0.877958
H 0.218430 -4.274485 1.404394
H -4.512931 0.288080 -2.914465
H -3.802737 -4.042676 2.933608
H -0.234187 0.003824 -3.339067
H -1.732389 -5.356776 2.506081
H -2.489607 0.244876 -4.363792


%chk=000210631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210631

0 1
O 0.097606 -0.416442 0.754470
O -3.176894 0.707194 1.900303
O -0.665865 1.549126 1.737973
N 3.321356 1.425383 -0.076023
C 4.273764 0.880199 -1.073989
C 4.333274 -0.670619 -1.093909
C 5.754079 1.248192 -0.791470
C 5.620671 -0.982350 -1.902001
C 6.584291 0.223276 -1.621988
C 1.914155 1.001073 -0.258583
C 3.474477 2.863581 0.266843
C 1.521058 0.059014 0.897136
C 3.228373 3.866620 -0.892586
C -2.331313 -0.133378 1.045912
C -0.883033 0.425076 1.214068
C -2.424275 -1.577414 1.588874
C -2.788773 -0.000735 -0.429832
C -2.297008 -2.707351 0.747187
C -4.137343 0.363022 -0.669951
C -2.618325 -1.768371 2.979429
C -1.937049 -0.257969 -1.533656
C -2.355998 -4.010815 1.289448
C -4.625390 0.470178 -1.990134
C -2.676372 -3.071182 3.520353
C -2.426899 -0.144438 -2.855252
C -2.542616 -4.198926 2.677809
C -3.771997 0.218622 -3.089585
H 4.016700 1.225042 -2.110241
H 4.434672 -1.021897 -0.048164
H 3.435590 -1.145085 -1.530384
H 6.001108 2.292929 -1.051021
H 5.939453 1.114352 0.292072
H 5.389806 -1.046599 -2.981616
H 6.062305 -1.950820 -1.608525
H 7.486397 -0.092824 -1.068790
H 6.931545 0.671829 -2.570437
H 1.232591 1.873186 -0.251553
H 1.768627 0.483349 -1.227714
H 4.489173 3.017494 0.675775
H 2.771262 3.081705 1.092969
H 2.109063 -0.869693 0.884792
H 1.625852 0.574781 1.866406
H 3.955440 3.723509 -1.712721
H 2.211454 3.757481 -1.313262
H 3.330653 4.905356 -0.526932
H -2.700210 1.577352 2.014079
H -2.164077 -2.576035 -0.330692
H -4.782637 0.567840 0.188889
H -2.751902 -0.891099 3.618759
H -0.894837 -0.547486 -1.365107
H -2.261455 -4.878188 0.626246
H -5.670787 0.751670 -2.160455
H -2.832097 -3.205825 4.596858
H -1.756401 -0.341458 -3.699657
H -2.590678 -5.210686 3.096373
H -4.150263 0.305955 -4.114392


