%chk=000182509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182509

0 1
O -0.914546 -0.035961 -1.372238
O 1.433423 1.602067 -0.955914
N 0.181462 -0.560173 1.711930
N -2.379975 0.554517 0.302926
N 2.505693 0.035318 0.341726
C 0.075743 0.581850 0.767536
C -0.089261 1.877443 1.605472
C -0.403593 3.124087 0.769634
C -1.099466 0.352172 -0.240296
C 1.393598 0.777805 -0.064016
C -0.442515 4.381911 1.647864
C 0.001596 -1.920472 1.291046
C -0.774714 5.622863 0.823038
C -0.397705 -2.847727 2.278517
C 0.315101 -2.363368 -0.005192
C -3.623953 0.360809 -0.386994
C 3.804834 0.077753 -0.265194
C -0.462649 -4.204493 1.961560
C 0.238443 -3.725712 -0.301504
C -4.804588 0.639819 0.334195
C 4.798037 -0.751491 0.299802
C -3.690996 -0.089317 -1.715719
C 4.105257 0.897685 -1.365399
C -0.144987 -4.650369 0.674575
C -6.041375 0.461287 -0.286129
C 6.082426 -0.745957 -0.243241
C -4.940168 -0.260120 -2.315040
C 5.398171 0.885849 -1.892063
C -6.115916 0.011965 -1.608631
C 6.389124 0.070384 -1.337429
H 0.850520 2.048676 2.176799
H -0.875373 1.740626 2.374080
H -1.363182 3.011731 0.229996
H 0.358550 3.249358 -0.034811
H -0.266731 -0.358492 2.612292
H 0.535249 4.522325 2.150529
H -1.188108 4.262162 2.457410
H -2.461107 0.914686 1.255623
H 2.397604 -0.639934 1.110445
H -1.755749 5.540541 0.340843
H -0.789002 6.523182 1.447285
H -0.036656 5.787572 0.027872
H -0.647896 -2.517898 3.282848
H 0.598737 -1.663500 -0.794617
H -0.767321 -4.920835 2.724401
H 0.479577 -4.066297 -1.309569
H -4.763439 0.989910 1.361439
H 4.572236 -1.393148 1.147674
H -2.776328 -0.303497 -2.279516
H 3.335340 1.537316 -1.810429
H -0.200743 -5.708907 0.433186
H -6.955661 0.674925 0.266951
H 6.851660 -1.384721 0.189801
H -4.993890 -0.609529 -3.346671
H 5.631996 1.521176 -2.746657
H -7.083569 -0.124514 -2.085141
H 7.392685 0.068763 -1.754989


%chk=000182509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182509

0 1
O -0.657137 0.627875 -1.330202
O 2.229520 0.368040 1.851499
N -0.493421 -0.266017 2.213583
N -2.280867 -0.004132 0.242837
N 1.884502 0.484582 -0.477855
C -0.074140 0.611027 1.097410
C -0.285750 2.088721 1.598795
C 0.029681 3.203706 0.580391
C -1.019003 0.389377 -0.124838
C 1.473700 0.452282 0.835308
C -0.195144 4.607051 1.190817
C -0.267005 -1.677419 2.212070
C 0.118019 5.742481 0.193389
C -0.375596 -2.372530 3.447587
C -0.000017 -2.416421 1.028866
C -3.430943 -0.230866 -0.564208
C 3.211441 0.427253 -0.988635
C -0.219938 -3.771526 3.498512
C 0.150119 -3.819069 1.091065
C -4.592336 -0.724132 0.089310
C 3.362151 0.523226 -2.399486
C -3.458888 0.021168 -1.961864
C 4.361290 0.280132 -0.166169
C 0.041119 -4.508755 2.318705
C -5.771123 -0.961875 -0.644800
C 4.644185 0.474970 -2.981920
C -4.648068 -0.222722 -2.682366
C 5.638519 0.233529 -0.766279
C -5.806858 -0.711600 -2.036924
C 5.792917 0.330070 -2.168241
H 0.373068 2.210595 2.482978
H -1.335933 2.182067 1.941820
H -0.600836 3.091654 -0.322402
H 1.081102 3.120908 0.242918
H -0.303852 0.162778 3.125172
H 0.440339 4.719979 2.092745
H -1.246334 4.694266 1.534773
H -2.344776 -0.210186 1.252570
H 1.104133 0.594716 -1.159562
H -0.523527 5.670068 -0.704841
H -0.047303 6.736127 0.648323
H 1.170846 5.694994 -0.142226
H -0.574283 -1.810034 4.368888
H 0.105088 -1.916251 0.061302
H -0.299848 -4.287062 4.462264
H 0.360311 -4.371875 0.168624
H -4.567368 -0.926467 1.167451
H 2.473529 0.634341 -3.033191
H -2.561593 0.392457 -2.459498
H 4.239504 0.205336 0.915907
H 0.162959 -5.596070 2.358521
H -6.659494 -1.344512 -0.130744
H 4.745990 0.549836 -4.070325
H -4.665088 -0.028074 -3.760531
H 6.521335 0.119102 -0.126978
H -6.722733 -0.897051 -2.607883
H 6.789739 0.292034 -2.620540


