%chk=000182823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182823

0 1
O 4.490174 -1.871299 0.287073
N 8.156032 0.833589 -0.432382
N 4.679413 0.307330 0.942999
N -1.740623 -0.265888 0.814921
N -4.759881 -2.557734 -1.130915
C 6.660529 0.787320 -0.494074
C 8.743741 -0.523236 -0.701590
C 8.716837 1.866119 -1.365760
C 6.159105 0.295057 0.882604
C -4.048591 -0.450507 -0.014005
C -2.717551 -1.037391 0.147167
C -5.697361 1.336089 0.221018
C -5.044250 -1.264039 -0.659793
C -6.688628 0.515196 -0.409821
C 10.167031 -0.591704 -0.146868
C 8.467728 3.269242 -0.809839
C -4.398037 0.838722 0.404820
C -6.346889 -0.771696 -0.843275
C -0.334585 -0.449579 0.744985
C 3.939786 -0.828849 0.602620
C 2.455469 -0.659715 0.667630
C -2.480064 -2.312177 -0.313518
C -6.066589 2.665024 0.652715
C -8.022205 1.046140 -0.585234
C 0.296544 -0.997598 -0.389341
C 0.438824 0.000625 1.839991
C 1.684304 -1.111295 -0.414065
C 1.825718 -0.112075 1.793662
C -3.540257 -3.034032 -0.960089
C -7.334078 3.129094 0.468102
C -8.330310 2.303540 -0.161943
H 6.268551 0.130376 -1.299908
H 6.261090 1.803682 -0.697241
H 8.115662 -1.287588 -0.188048
H 8.737609 -0.788764 -1.780559
H 9.815299 1.697443 -1.444039
H 8.309536 1.782789 -2.396225
H 6.564253 0.938036 1.694332
H 6.526283 -0.742274 1.075630
H 4.233452 1.206109 1.079490
H 10.858217 0.049053 -0.705465
H 10.195314 -0.256400 0.898980
H 10.552440 -1.615801 -0.182628
H 7.405395 3.535548 -0.824378
H 8.802071 3.338537 0.234518
H 9.011858 4.022721 -1.387998
H -3.655318 1.482962 0.876507
H -7.086486 -1.410814 -1.331942
H -2.077639 0.449282 1.461617
H -1.523015 -2.810755 -0.180237
H -5.303915 3.280761 1.127064
H -8.765700 0.409651 -1.064537
H -0.289326 -1.318791 -1.250574
H -0.039865 0.414778 2.723977
H 2.180816 -1.556121 -1.281306
H 2.421201 0.215258 2.648359
H -3.338357 -4.048211 -1.332878
H -7.623928 4.128461 0.789455
H -9.331633 2.713898 -0.288963


%chk=000182823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182823

0 1
O 4.502129 -1.446732 -0.399134
N 8.273609 0.845924 -0.429889
N 4.753880 0.425305 0.951643
N -1.779615 -0.127723 0.626334
N -4.924586 -2.870954 -0.419904
C 6.823712 1.127812 -0.306583
C 8.541263 -0.406301 -1.193416
C 9.074868 2.004818 -0.902561
C 6.224008 0.362081 0.902180
C -4.137726 -0.528245 0.051432
C -2.777874 -1.031254 0.226943
C -5.830356 1.277328 0.002007
C -5.182089 -1.506841 -0.246906
C -6.875792 0.294369 -0.257092
C 9.862505 -1.086418 -0.787331
C 9.263550 3.084192 0.180487
C -4.487879 0.838717 0.145513
C -6.519485 -1.070230 -0.383454
C -0.374023 -0.259655 0.543776
C 3.974070 -0.510201 0.286986
C 2.481488 -0.373350 0.414028
C -2.551308 -2.402512 0.039105
C -6.193742 2.667600 0.097469
C -8.236939 0.747015 -0.394462
C 0.274050 -1.045867 -0.450538
C 0.426718 0.470104 1.467120
C 1.676457 -1.100483 -0.500467
C 1.830402 0.415339 1.399206
C -3.647285 -3.262806 -0.286657
C -7.519357 3.069072 -0.041999
C -8.552205 2.098208 -0.288511
H 6.258593 0.840379 -1.223928
H 6.673843 2.213834 -0.160572
H 7.705216 -1.104294 -1.002990
H 8.537782 -0.211697 -2.295529
H 10.070735 1.624606 -1.194537
H 8.631174 2.464544 -1.822526
H 6.644437 0.764560 1.840636
H 6.503339 -0.702215 0.828545
H 4.312007 1.231122 1.393485
H 10.737625 -0.438245 -0.977639
H 9.848545 -1.330151 0.289289
H 10.006993 -2.020928 -1.361135
H 8.297867 3.511134 0.508544
H 9.761835 2.650029 1.064672
H 9.882280 3.916299 -0.204825
H -3.718636 1.607912 0.293522
H -7.276028 -1.831646 -0.600027
H -2.109903 0.703404 1.120323
H -1.563412 -2.841326 0.192893
H -5.407455 3.408896 0.285108
H -9.020637 0.005073 -0.586401
H -0.315957 -1.581532 -1.198656
H -0.058146 1.060757 2.254286
H 2.186095 -1.707750 -1.255603
H 2.405140 0.959804 2.157992
H -3.455093 -4.334667 -0.419986
H -7.785670 4.128877 0.034934
H -9.589815 2.433009 -0.394405


