%chk=000201914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201914

0 1
O -3.104989 3.439226 0.313879
N -4.587849 0.177392 0.328612
N -0.533014 1.042781 -0.760875
N -5.104862 2.416651 0.776430
C -3.338465 0.957604 0.060397
C -2.914666 0.857828 -1.416881
C -2.196333 0.540723 1.005676
C -1.593513 1.602279 -1.664886
C -0.901131 1.296302 0.671926
C -3.765497 2.425427 0.378617
C -5.707746 1.061700 0.778847
C 0.805048 1.640973 -1.086888
C -4.764721 -1.209341 0.198888
C 1.912242 0.736739 -0.517919
C 3.301172 1.245382 -0.921691
C -6.022625 -1.789489 0.495876
C -3.703121 -2.044191 -0.225919
C 4.407337 0.352030 -0.346230
C -6.194789 -3.167727 0.365746
C -3.904172 -3.415653 -0.346585
C 5.802733 0.851480 -0.753656
C -5.146447 -3.989937 -0.053469
C 6.873944 -0.034127 -0.177085
C 7.422142 0.247961 1.083872
C 7.326674 -1.153762 -0.892396
C 8.413936 -0.578367 1.618548
C 8.318615 -1.976816 -0.353080
C 8.865195 -1.691462 0.902194
H -2.787801 -0.212855 -1.691955
H -3.706026 1.250613 -2.081118
H -2.477243 0.709247 2.061294
H -2.017555 -0.553013 0.907591
H -1.276683 1.442375 -2.717645
H -1.745023 2.698289 -1.525246
H -1.026216 2.381234 0.898367
H -0.077695 0.918752 1.316187
H -6.048465 0.778036 1.804828
H -6.567313 1.006008 0.066648
H 0.919946 2.679610 -0.709660
H 0.908868 1.693484 -2.192861
H -5.635882 3.232531 1.042043
H 1.759114 -0.300720 -0.878192
H 1.830292 0.680432 0.584791
H 3.438998 2.287278 -0.573371
H 3.383611 1.282020 -2.025338
H -6.861676 -1.188230 0.823918
H -2.724582 -1.620266 -0.460481
H 4.270666 -0.692388 -0.689509
H 4.332749 0.315779 0.758293
H -7.166169 -3.606362 0.596352
H -3.079601 -4.049791 -0.674599
H 5.884119 0.888155 -1.858903
H 5.943342 1.898802 -0.417837
H -5.292126 -5.060865 -0.150998
H 7.073680 1.110611 1.647496
H 6.903551 -1.382958 -1.868003
H 8.836331 -0.354178 2.596510
H 8.666604 -2.843331 -0.912702
H 9.637685 -2.332702 1.319654


%chk=000201914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201914

0 1
O -3.382168 3.559990 0.300923
N -4.642326 0.183879 0.294562
N -0.587475 1.145747 -0.733563
N -5.334732 2.323707 0.728597
C -3.448408 1.052033 0.054522
C -2.972013 1.007883 -1.434003
C -2.280591 0.742116 1.047618
C -1.614994 1.706642 -1.652325
C -0.964874 1.452680 0.672047
C -4.009071 2.466862 0.364094
C -5.828014 0.949269 0.723300
C 0.779809 1.620589 -1.073198
C -4.728950 -1.213328 0.176799
C 1.897265 0.755183 -0.454120
C 3.307182 1.229289 -0.873830
C -5.969258 -1.869765 0.461840
C -3.626142 -2.035238 -0.219937
C 4.434561 0.343833 -0.299068
C -6.094499 -3.269791 0.355542
C -3.770047 -3.432694 -0.320562
C 5.852234 0.822145 -0.721125
C -4.999382 -4.070916 -0.035911
C 6.955866 -0.079431 -0.187951
C 7.605104 0.204796 1.041362
C 7.331184 -1.254909 -0.889990
C 8.597677 -0.659655 1.557347
C 8.322445 -2.122749 -0.379672
C 8.959720 -1.828433 0.848383
H -2.881179 -0.043813 -1.751208
H -3.743085 1.477951 -2.073784
H -2.587394 1.039212 2.068686
H -2.102464 -0.345398 1.063938
H -1.288703 1.526066 -2.693946
H -1.729120 2.808203 -1.514306
H -1.068931 2.553761 0.825572
H -0.169099 1.090224 1.346601
H -6.176276 0.637107 1.733299
H -6.677492 0.824258 0.015300
H 0.929364 2.691841 -0.776757
H 0.879975 1.580594 -2.175959
H -5.914124 3.124239 0.979304
H 1.739937 -0.294874 -0.768828
H 1.829211 0.768456 0.651975
H 3.459988 2.278917 -0.545283
H 3.379359 1.237116 -1.982193
H -6.847358 -1.293207 0.768690
H -2.652903 -1.598099 -0.451885
H 4.291953 -0.703438 -0.633652
H 4.372472 0.327441 0.807896
H -7.061259 -3.734385 0.582731
H -2.902263 -4.028566 -0.626813
H 5.893714 0.859416 -1.828085
H 5.998704 1.859177 -0.360028
H -5.099454 -5.157940 -0.116806
H 7.333100 1.112713 1.594787
H 6.845460 -1.487170 -1.846535
H 9.090275 -0.420464 2.506993
H 8.601096 -3.023496 -0.938894
H 9.730990 -2.498377 1.245012


