%chk=000199024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199024

1 1
O -1.653561 3.496575 0.582059
O 0.720335 -0.053404 0.104051
N -2.432038 -0.792370 -0.360740
C -1.129992 1.403903 0.317805
C -1.795981 0.547131 -0.765327
C -2.088271 2.246057 1.214141
C -0.689247 2.787286 -0.271717
C -0.023180 0.697465 1.099279
C -3.605080 -1.086232 -1.320867
C -1.387827 -1.915699 -0.527734
C -2.939673 -0.764987 1.060861
C -4.741566 -0.087374 -1.221512
C -1.880056 -3.281209 -0.093929
C 2.085766 -0.246168 0.383520
C 2.975845 0.035048 -0.668976
C 2.500876 -0.771661 1.611441
C 4.333530 -0.255041 -0.455373
C 2.510696 0.608109 -1.963323
C 3.859452 -1.039074 1.793492
C 4.770426 -0.783269 0.761436
H -2.583874 1.174264 -1.260982
H -1.017127 0.340441 -1.546602
H -1.851319 2.284902 2.285235
H -3.164342 2.122794 1.052802
H -0.918175 2.990686 -1.322530
H 0.329730 3.113352 -0.024507
H -0.422908 -0.026531 1.835083
H 0.640557 1.414023 1.622228
H -3.982814 -2.116892 -1.106120
H -3.203068 -1.113101 -2.362167
H -0.458380 -1.637725 0.046461
H -1.069388 -1.939711 -1.596987
H -2.102484 -0.698271 1.784736
H -3.614072 0.093043 1.237325
H -3.511064 -1.680808 1.304569
H -4.421114 0.958244 -1.347899
H -5.303725 -0.154818 -0.279743
H -5.482253 -0.272890 -2.022040
H -1.119827 -4.047059 -0.341489
H -2.801616 -3.604152 -0.597055
H -2.036908 -3.367632 0.989903
H 1.789849 -0.975078 2.405731
H 5.055474 -0.056971 -1.250172
H 1.462919 0.931074 -1.921944
H 3.113120 1.483021 -2.255048
H 2.603391 -0.125264 -2.778944
H 4.210940 -1.448860 2.741444
H 5.830924 -0.995665 0.909623


%chk=000199024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199024

1 1
O -1.649436 3.540207 1.227140
O 0.895065 0.482587 0.020634
N -2.465513 -0.704950 -0.434204
C -1.236897 1.501087 0.497041
C -1.919050 0.739110 -0.658176
C -2.149389 2.169952 1.584075
C -0.921065 2.972623 0.033806
C 0.006829 0.849590 1.120767
C -3.565132 -0.966464 -1.508989
C -1.305849 -1.720765 -0.697824
C -3.045944 -0.886241 0.958336
C -4.911355 -0.272575 -1.272228
C -1.567452 -3.156131 -0.231606
C 2.201399 0.002197 0.353446
C 3.045381 -0.257830 -0.760722
C 2.626200 -0.206692 1.683699
C 4.344826 -0.744963 -0.486538
C 2.569704 -0.004433 -2.177677
C 3.933364 -0.691807 1.921150
C 4.793639 -0.963525 0.837412
H -2.782950 1.336822 -0.992533
H -1.205084 0.651369 -1.495602
H -1.925833 1.922916 2.637888
H -3.238413 2.086485 1.401651
H -1.399836 3.286474 -0.912873
H 0.144462 3.253704 0.031133
H -0.240316 -0.045857 1.733253
H 0.493952 1.585770 1.790729
H -3.699707 -2.060158 -1.542490
H -3.117673 -0.644879 -2.465681
H -0.406491 -1.296835 -0.226002
H -1.144679 -1.685545 -1.790190
H -2.235086 -0.861464 1.699564
H -3.763449 -0.080777 1.163529
H -3.560442 -1.856194 1.011063
H -4.834761 0.825948 -1.198266
H -5.440330 -0.654777 -0.384242
H -5.553218 -0.487553 -2.144849
H -0.700608 -3.764849 -0.544690
H -2.460711 -3.617259 -0.687784
H -1.638708 -3.247570 0.864792
H 1.973957 0.005862 2.536090
H 5.016899 -0.948521 -1.327844
H 2.293834 1.056008 -2.325755
H 3.357144 -0.257733 -2.906137
H 1.673354 -0.606343 -2.422504
H 4.271689 -0.850260 2.950170
H 5.806579 -1.336260 1.017537


