%chk=000202097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202097

1 1
O -2.568620 -1.930660 -0.178127
O 0.358524 0.792505 1.476072
O -0.023672 1.829688 -0.485090
N 3.453314 0.873996 -0.097838
C -0.242592 -1.701293 -0.555635
C -1.600136 -0.958608 -0.572575
C 0.054629 -2.317784 0.822274
C -1.671250 0.223958 0.449636
C 2.748563 0.533594 1.215953
C -0.238145 -2.805647 -1.630912
C 3.901002 2.348203 -0.124415
C 4.695942 -0.026120 -0.252420
C 1.425556 -3.004368 0.841006
C 2.518112 0.655953 -1.265442
C 1.618022 1.484052 1.622878
C 0.965013 -3.690456 -1.518020
C -0.428199 1.065705 0.360485
C -2.915672 1.049893 0.221125
C 1.707317 -3.784872 -0.410009
C 4.842493 2.722365 1.002759
C 4.363749 -1.492909 -0.430537
C -4.003012 0.893159 1.093468
C -3.007935 1.937256 -0.860781
C -5.176825 1.621365 0.880113
C -4.183753 2.663226 -1.066914
C -5.269648 2.505664 -0.199339
H 0.566712 -0.965010 -0.811422
H -1.845285 -0.588854 -1.594740
H -0.743918 -3.057973 1.056620
H -0.004171 -1.555173 1.621374
H -1.720945 -0.241936 1.479802
H 2.330692 -0.515809 1.148230
H 3.511753 0.495075 2.029532
H -1.155114 -3.435104 -1.511872
H -0.311760 -2.367804 -2.644402
H 4.379891 2.550730 -1.113035
H 2.985348 2.993824 -0.089474
H 5.284580 0.339201 -1.128760
H 5.346789 0.116018 0.643675
H 1.480418 -3.684565 1.718905
H 2.233691 -2.246307 0.992365
H 3.059690 0.593392 -2.224100
H 1.770658 1.478627 -1.358943
H 1.919696 -0.282522 -1.154066
H 1.644331 1.693318 2.714693
H 1.598177 2.441354 1.063805
H 1.180049 -4.289029 -2.404658
H 2.556862 -4.464102 -0.348421
H 5.116968 3.792178 0.923594
H 5.795504 2.176100 0.985550
H 4.403994 2.605419 2.002623
H 5.283918 -2.102541 -0.385399
H 3.901234 -1.725154 -1.401436
H 3.691811 -1.899741 0.348280
H -3.482502 -1.578268 -0.292542
H -3.940908 0.209352 1.939952
H -2.160643 2.075317 -1.534697
H -6.022000 1.499776 1.559358
H -4.254247 3.355422 -1.906927
H -6.186848 3.072926 -0.363281


%chk=000202097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202097

1 1
O -2.939827 -1.702342 -0.632908
O 0.515185 0.858450 1.425527
O 0.234105 1.399846 -0.822886
N 3.676787 0.844306 0.323687
C -0.586314 -1.983931 -1.079659
C -1.710935 -0.946640 -0.867732
C -0.434261 -2.992838 0.087182
C -1.481884 0.030721 0.343034
C 2.991806 1.293348 1.634873
C -0.806569 -2.748629 -2.410478
C 3.587016 1.936328 -0.785803
C 5.175071 0.550743 0.623376
C 0.794249 -3.910938 -0.124064
C 3.015125 -0.415892 -0.235430
C 1.580055 1.884079 1.547197
C 0.171036 -3.896467 -2.577809
C -0.199878 0.817819 0.202861
C -2.661620 1.012651 0.476081
C 0.906931 -4.407779 -1.555590
C 4.204094 3.292633 -0.429409
C 5.438262 -0.613187 1.585779
C -3.574155 0.865717 1.551040
C -2.885792 2.024546 -0.494503
C -4.697276 1.718198 1.655113
C -4.007102 2.875835 -0.386398
C -4.915547 2.725538 0.687627
H 0.364864 -1.416346 -1.182898
H -1.802425 -0.326151 -1.786607
H -1.353626 -3.603265 0.133868
H -0.346149 -2.474729 1.062176
H -1.421147 -0.565708 1.268953
H 2.979601 0.416544 2.302518
H 3.653568 2.055417 2.081538
H -1.847988 -3.127761 -2.437965
H -0.712516 -2.049838 -3.267022
H 4.094064 1.494979 -1.662313
H 2.514804 2.029087 -1.029662
H 5.635920 0.353418 -0.360615
H 5.601548 1.485128 1.022891
H 0.732336 -4.777372 0.563767
H 1.732274 -3.379473 0.161033
H 3.674014 -0.847604 -1.004814
H 2.056627 -0.137267 -0.690651
H 2.849568 -1.144068 0.570284
H 1.381624 2.367179 2.519548
H 1.465173 2.632254 0.745414
H 0.265755 -4.328435 -3.583232
H 1.601583 -5.236915 -1.747224
H 4.026768 3.969825 -1.283538
H 5.295150 3.252781 -0.277137
H 3.737243 3.766347 0.451049
H 6.533060 -0.723139 1.680950
H 5.051678 -1.575954 1.214232
H 5.048986 -0.434774 2.601612
H -3.712575 -1.081673 -0.600037
H -3.408286 0.084743 2.302107
H -2.184321 2.152978 -1.327413
H -5.398985 1.594302 2.486665
H -4.174128 3.653670 -1.139148
H -5.785423 3.385705 0.768860


