%chk=000199367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199367

0 1
O -0.476752 0.010111 -0.282803
O -1.512145 0.443773 1.696768
N 0.037783 -3.113454 2.322564
C 0.915031 -0.011541 0.252247
C 0.985189 -0.992420 1.457112
C 0.428659 -2.383761 1.070678
C 1.226082 1.439536 0.587590
C 1.701624 -0.541198 -0.941608
C 2.405197 -1.110831 2.008531
C 1.063613 1.929392 1.892410
C 1.063972 -1.268103 -1.956532
C 1.620989 2.326382 -0.427057
C 3.087295 -0.325275 -1.014325
C -1.275091 -2.621794 2.837998
C -0.026236 -4.584417 2.069908
C -1.564265 0.314377 0.493336
C 1.335529 3.267884 2.186905
C 1.802698 -1.774852 -3.029951
C 1.890663 3.665352 -0.132609
C 3.822561 -0.837563 -2.085450
C 1.756125 4.137603 1.176547
C 3.182546 -1.563482 -3.095693
C -2.773896 0.410956 -0.365792
C -4.030460 0.428243 0.260739
C -2.676356 0.498456 -1.761906
C -5.187673 0.524601 -0.514623
C -3.838700 0.595790 -2.531092
C -5.091573 0.607603 -1.908544
H 0.329352 -0.568959 2.272706
H -0.413402 -2.272907 0.353583
H 1.215129 -2.962570 0.540392
H 2.825550 -0.138934 2.284890
H 3.089697 -1.590765 1.300599
H 2.394186 -1.740692 2.911900
H 0.695183 1.266166 2.681729
H -0.014180 -1.433129 -1.910008
H 1.713382 1.975228 -1.456040
H 3.591897 0.247477 -0.235107
H -1.429381 -3.028826 3.849094
H -1.244486 -1.518436 2.930730
H -2.144583 -2.883432 2.219303
H -0.293378 -5.095781 3.008593
H -0.742323 -4.892960 1.294924
H 0.975686 -4.941423 1.782880
H 1.209968 3.633272 3.204752
H 1.299727 -2.336709 -3.814962
H 2.201719 4.341894 -0.926358
H 4.897181 -0.669451 -2.133724
H 1.969593 5.179799 1.406254
H 3.757549 -1.961071 -3.929523
H -4.091167 0.371252 1.350727
H -1.691177 0.492426 -2.236120
H -6.164503 0.538141 -0.033343
H -3.767876 0.664834 -3.615509
H -5.996755 0.683990 -2.511107


%chk=000199367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199367

0 1
O -0.516577 0.025161 -0.360669
O -1.606084 0.601537 1.640558
N 0.042690 -3.206786 2.297993
C 0.900891 -0.012342 0.239648
C 0.937984 -1.024382 1.442702
C 0.324519 -2.406944 1.078602
C 1.231196 1.448772 0.609829
C 1.752395 -0.527767 -0.937957
C 2.361090 -1.241018 2.009546
C 1.281170 1.917575 1.945383
C 1.200254 -1.363250 -1.941758
C 1.409836 2.388043 -0.441157
C 3.137939 -0.227371 -0.994548
C -1.212397 -2.807053 2.969870
C 0.085224 -4.661361 2.050569
C -1.621654 0.397730 0.400024
C 1.531094 3.279596 2.223811
C 2.011326 -1.879878 -2.976909
C 1.649104 3.750166 -0.167269
C 3.950825 -0.749119 -2.023924
C 1.718362 4.202432 1.171054
C 3.391198 -1.578426 -3.022750
C -2.849128 0.508276 -0.451116
C -4.084486 0.765329 0.198546
C -2.809429 0.370400 -1.863169
C -5.269805 0.879300 -0.555954
C -3.998072 0.486731 -2.614649
C -5.229330 0.739053 -1.964108
H 0.307328 -0.586279 2.234669
H -0.595871 -2.277182 0.459622
H 1.050849 -2.967381 0.460867
H 2.824906 -0.307876 2.373862
H 3.032525 -1.685584 1.253524
H 2.278132 -1.949434 2.852062
H 1.106698 1.232472 2.778725
H 0.132414 -1.596425 -1.917149
H 1.356069 2.045482 -1.480352
H 3.580895 0.425354 -0.234967
H -1.295267 -3.326930 3.941541
H -1.222391 -1.720923 3.159570
H -2.123584 -3.050839 2.364946
H -0.040837 -5.202478 3.006344
H -0.711564 -5.020283 1.349143
H 1.065973 -4.941284 1.626847
H 1.566487 3.620392 3.264558
H 1.563529 -2.518814 -3.746679
H 1.780510 4.456758 -0.994420
H 5.018326 -0.502957 -2.047273
H 1.907924 5.259575 1.388802
H 4.019792 -1.980150 -3.825385
H -4.088385 0.874487 1.288080
H -1.850748 0.184961 -2.355357
H -6.221779 1.077727 -0.051742
H -3.966339 0.384148 -3.704872
H -6.150732 0.828861 -2.550560


