%chk=000208499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208499

0 1
O -1.312303 1.774604 1.452740
O 1.800400 0.746793 1.933589
O 1.550314 2.720125 0.848197
N 4.087779 -0.569554 -0.670229
C -3.547498 1.857906 -0.117552
C 2.790481 -0.056217 -0.134172
C -2.763043 0.575613 0.065049
C 3.914538 -1.819766 -1.465454
C 4.832628 0.502075 -1.411557
C -1.606465 0.539196 0.878851
C 3.078457 0.485156 1.273157
C -4.991241 1.684311 0.372083
C -3.504889 2.308590 -1.583468
C -3.136797 -0.617006 -0.559139
C -0.852527 -0.618922 1.065916
C -1.256571 -1.800626 0.422962
C 3.047363 -1.708129 -2.721843
C 6.311166 0.128876 -1.525356
C -2.400032 -1.794277 -0.386849
C -0.207983 1.870425 2.364511
C 1.110576 1.887857 1.597347
C -0.475530 -3.060835 0.609450
H -3.067479 2.662842 0.503532
H 2.323783 0.735499 -0.760676
H 2.035031 -0.870122 -0.065018
H 3.492827 -2.589640 -0.780991
H 4.932447 -2.177720 -1.741376
H 4.738356 1.452480 -0.839336
H 4.409041 0.698737 -2.420594
H 3.527595 -0.270471 1.942222
H 3.679572 1.408710 1.267202
H -5.014598 1.333348 1.410025
H -5.537777 2.632198 0.328896
H -5.545288 0.958612 -0.231820
H -4.008361 3.272059 -1.714524
H -2.469985 2.426426 -1.926379
H -3.991351 1.588940 -2.249254
H -4.023152 -0.629949 -1.195026
H 0.040299 -0.620939 1.689757
H 2.992270 -2.667311 -3.247741
H 3.449588 -0.972533 -3.428091
H 2.020779 -1.405303 -2.487446
H 6.902134 0.979090 -1.881716
H 6.472191 -0.704224 -2.218274
H 6.716462 -0.177351 -0.551609
H -2.720183 -2.705346 -0.884852
H -0.241932 1.066839 3.124611
H -0.390188 2.860193 2.836641
H 0.515968 -2.885359 1.047498
H -1.006573 -3.750877 1.282431
H -0.321098 -3.590425 -0.340526


%chk=000208499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208499

0 1
O -1.488881 1.570726 1.730480
O 2.015294 0.734510 2.041361
O 1.069034 2.148097 0.433544
N 4.390332 -0.487841 -0.637638
C -3.814666 2.033108 0.266902
C 3.184666 -0.492402 0.218015
C -3.094516 0.684954 0.186762
C 4.955262 -1.831324 -0.915407
C 4.269545 0.416209 -1.812317
C -1.884859 0.479131 0.914026
C 3.280468 0.658180 1.241419
C -5.309816 1.962378 -0.116220
C -3.071368 3.083243 -0.609998
C -3.535890 -0.385230 -0.620980
C -1.157779 -0.727332 0.829413
C -1.614924 -1.785421 0.000207
C 4.093213 -2.766262 -1.808090
C 5.631042 0.816549 -2.410093
C -2.815931 -1.600614 -0.719622
C -0.226349 1.462008 2.442518
C 0.985647 1.505527 1.499581
C -0.816349 -3.074617 -0.101831
H -3.742969 2.380640 1.316062
H 2.239498 -0.384205 -0.362689
H 3.124262 -1.451126 0.765217
H 5.135462 -2.323748 0.059529
H 5.949292 -1.696906 -1.379979
H 3.746990 1.329835 -1.472897
H 3.624280 -0.025244 -2.611416
H 4.070905 0.471666 1.982931
H 3.443641 1.626152 0.737393
H -5.848768 1.200473 0.476567
H -5.790328 2.941400 0.064605
H -5.446542 1.725608 -1.188568
H -3.538730 4.079886 -0.498121
H -2.010187 3.161231 -0.317946
H -3.118068 2.798388 -1.677990
H -4.464646 -0.271826 -1.189487
H -0.229759 -0.868024 1.395062
H 4.588608 -3.748661 -1.920661
H 3.946396 -2.345997 -2.819380
H 3.095489 -2.940173 -1.362881
H 5.488916 1.565424 -3.210777
H 6.162326 -0.045270 -2.853362
H 6.276905 1.254100 -1.628430
H -3.191853 -2.404994 -1.362495
H -0.174665 0.555021 3.072528
H -0.195332 2.350779 3.096149
H 0.194171 -2.889839 -0.516208
H -0.680525 -3.547863 0.889062
H -1.318742 -3.805703 -0.758047


