%chk=000185973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185973

0 1
O -0.996960 1.959261 1.426031
O 4.867817 1.052297 -0.806199
N -1.893331 -0.295865 -0.761155
C 0.749218 -1.491151 -0.191667
C -0.404833 -1.509747 0.854825
C -1.307616 -0.274915 0.609130
C 0.131422 -1.508050 -1.613450
C -3.817560 1.079065 0.094566
C -0.847781 -0.347159 -1.838515
C -2.821034 0.858627 -1.028734
C 1.544031 -0.190300 -0.049563
C -4.877931 0.032013 0.397853
C -5.277308 1.343048 -0.247126
C 1.662660 -2.731031 -0.023413
C -0.481672 0.992994 0.898959
C -1.239200 -2.790149 0.838954
C 0.940444 0.972962 0.486088
C 2.869128 -0.121479 -0.487615
C 2.341941 -2.818611 1.339561
C 1.678610 2.162325 0.621258
C 3.575470 1.083195 -0.352347
C 3.004888 2.238041 0.206783
H 0.049781 -1.405337 1.873120
H -2.168258 -0.309557 1.332573
H -0.399671 -2.469711 -1.763369
H 0.927705 -1.468605 -2.379793
H -3.378367 1.633626 0.939932
H -0.284213 0.607264 -1.937264
H -1.382252 -0.505561 -2.802234
H -2.277735 1.814381 -1.210228
H -3.355499 0.605754 -1.973828
H -5.153217 -0.166893 1.429812
H -4.897464 -0.883820 -0.190288
H -5.600597 1.352519 -1.284472
H -5.830084 2.080050 0.330480
H 2.433314 -2.733485 -0.821067
H 1.060863 -3.647408 -0.193877
H -1.971554 -2.791605 1.654355
H -1.810655 -2.881595 -0.096329
H -0.619132 -3.685766 0.947501
H 3.372970 -0.982610 -0.925878
H 2.932562 -1.920426 1.560592
H 1.615458 -2.938872 2.151833
H 3.024570 -3.675153 1.383469
H 1.185979 3.039357 1.057971
H 3.570668 3.156341 0.311964
H 5.329924 1.920245 -0.688601


%chk=000185973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185973

0 1
O -0.954241 2.170793 1.309363
O 5.041796 0.989221 -0.780247
N -1.851884 -0.171019 -0.693945
C 0.763123 -1.457974 -0.178623
C -0.382243 -1.439478 0.897021
C -1.243141 -0.173548 0.675125
C 0.097079 -1.445836 -1.597758
C -3.948776 0.978908 0.126527
C -0.868247 -0.264781 -1.806064
C -2.865144 0.894922 -0.938227
C 1.602838 -0.166862 -0.034681
C -4.968033 -0.159397 0.275941
C -5.407895 1.193950 -0.306053
C 1.633332 -2.746821 -0.065843
C -0.411535 1.099869 0.882415
C -1.273653 -2.699664 0.936788
C 1.015777 1.043443 0.466178
C 2.953946 -0.126910 -0.443407
C 2.333710 -2.967329 1.292189
C 1.791146 2.230385 0.555846
C 3.708939 1.062666 -0.350844
C 3.134149 2.256766 0.155729
H 0.093021 -1.327601 1.893731
H -2.075052 -0.156205 1.399519
H -0.454595 -2.396014 -1.728394
H 0.885076 -1.412403 -2.374972
H -3.641026 1.494316 1.042587
H -0.289419 0.680864 -1.943551
H -1.440399 -0.420606 -2.741298
H -2.387462 1.900435 -1.033937
H -3.326812 0.661284 -1.919172
H -5.309946 -0.426136 1.280454
H -4.874271 -1.007139 -0.409609
H -5.623942 1.243952 -1.378464
H -6.037166 1.844076 0.308504
H 2.388838 -2.746884 -0.876368
H 0.981204 -3.614216 -0.283770
H -1.998014 -2.611477 1.768070
H -1.857675 -2.810553 0.007681
H -0.689396 -3.621104 1.106114
H 3.460197 -1.012399 -0.835314
H 2.991781 -2.119679 1.553917
H 1.602872 -3.092120 2.111593
H 2.956363 -3.880284 1.263074
H 1.296513 3.127280 0.943423
H 3.725550 3.178468 0.227276
H 5.498213 1.861345 -0.677925


