%chk=000184848.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184848

0 1
O 2.074229 1.031777 0.329748
O 1.782987 -1.002382 -0.665572
N 0.290415 0.754178 -1.092700
N 5.735923 0.372692 0.356052
C -2.418581 0.872797 0.065377
C -1.280767 1.777719 0.580231
C -1.839289 -0.441236 -0.493703
C -0.236132 2.025920 -0.518572
C -0.782041 -0.170307 -1.572724
C -3.429942 0.594326 1.198289
C -4.670697 -0.083191 0.684500
C 1.388984 0.131094 -0.469458
C -5.657525 0.663595 0.021004
C -4.852524 -1.463157 0.863202
C 3.366336 0.589505 0.851271
C 4.411928 0.675835 -0.269163
C -6.810357 0.035307 -0.456016
C -6.008247 -2.086386 0.384505
C 6.834225 1.203705 -0.216322
C 6.029613 -1.098678 0.319535
C -6.989095 -1.340252 -0.275884
C 7.122152 1.012477 -1.707871
C 7.098059 -1.445036 1.357366
H -2.950649 1.405583 -0.761330
H -1.685626 2.744436 0.931526
H -0.793192 1.315901 1.461153
H -1.397569 -1.043619 0.323639
H -2.653227 -1.062870 -0.915802
H 0.613031 2.629938 -0.122918
H -0.680512 2.601948 -1.361210
H -1.240390 0.304398 -2.468552
H -0.314306 -1.124606 -1.911308
H -3.704527 1.547562 1.695766
H -2.950747 -0.013277 1.992204
H -5.525579 1.733821 -0.121661
H -4.094052 -2.051264 1.375683
H 3.262241 -0.428219 1.263452
H 3.537089 1.324639 1.657655
H 4.400696 1.698196 -0.703788
H 4.136034 -0.013345 -1.098250
H -7.572774 0.619227 -0.969135
H -6.144323 -3.157295 0.527306
H 7.752813 0.986209 0.374537
H 6.582454 2.268786 -0.012721
H 6.346505 -1.447843 -0.687237
H 5.091469 -1.648176 0.561633
H -7.887863 -1.827088 -0.647251
H 7.404061 -0.021943 -1.936207
H 6.253194 1.256828 -2.328143
H 7.947241 1.654763 -2.033774
H 6.852818 -1.008923 2.335012
H 8.085107 -1.064864 1.072752
H 7.180731 -2.529305 1.485274


%chk=000184848-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184848

0 1
O 2.323861 1.112589 0.678568
O 2.015049 -1.120721 -0.003702
N 0.279605 0.454137 -0.166028
N 6.002803 0.408508 0.123233
C -2.594903 0.837357 0.250387
C -1.543769 1.798691 0.859932
C -1.973933 -0.571607 0.079450
C -0.239800 1.823473 0.029041
C -0.671102 -0.517459 -0.747372
C -3.894569 0.812327 1.108302
C -5.039501 0.045939 0.460246
C 1.559364 0.049344 0.145869
C -5.740633 0.603749 -0.641864
C -5.422450 -1.240846 0.917618
C 3.730402 0.762772 1.016368
C 4.641799 0.882207 -0.221486
C -6.789410 -0.102805 -1.270472
C -6.472612 -1.953133 0.292865
C 7.103479 1.227106 -0.440645
C 6.159263 -1.062782 -0.020311
C -7.159507 -1.386816 -0.805042
C 7.273107 1.181469 -1.985075
C 7.330250 -1.629380 0.804310
H -2.862208 1.218117 -0.760717
H -1.952852 2.827085 0.916446
H -1.309081 1.479047 1.895233
H -1.750895 -0.997815 1.078615
H -2.692420 -1.249971 -0.417406
H 0.535890 2.428255 0.519373
H -0.449908 2.271470 -0.966548
H -0.905200 -0.211487 -1.789616
H -0.171374 -1.498531 -0.781049
H -4.204882 1.861644 1.289260
H -3.655157 0.374961 2.097727
H -5.466337 1.603299 -1.003455
H -4.895853 -1.685364 1.771384
H 3.757776 -0.262250 1.423449
H 4.019372 1.488114 1.792299
H 4.689161 1.941984 -0.532956
H 4.185051 0.310512 -1.060943
H -7.321470 0.346685 -2.116867
H -6.754574 -2.945387 0.663292
H 8.048869 0.912125 0.039172
H 6.932858 2.274797 -0.125857
H 6.273849 -1.366654 -1.090420
H 5.218327 -1.528677 0.325540
H -7.974942 -1.935813 -1.289201
H 7.506880 0.161517 -2.340619
H 6.354379 1.519925 -2.499012
H 8.101010 1.844960 -2.298162
H 7.223788 -1.339961 1.864751
H 8.309317 -1.263719 0.444653
H 7.343640 -2.733090 0.738841


