%chk=000188999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188999

0 1
O -4.471245 0.542121 -0.767309
O 2.533929 0.399444 3.061363
O -1.545894 -2.644029 1.151058
O -2.959781 -3.369277 -0.449502
N 0.058654 2.187027 0.032912
N 3.415892 -0.873005 1.345070
C 0.423088 0.965116 0.834954
C 1.968750 0.930273 0.685548
C -0.378706 -0.227577 0.306208
C -2.212567 1.396869 -0.277741
C -1.880006 0.081001 0.486968
C 2.372040 2.427769 0.674587
C -1.364220 2.572106 0.256682
C 1.083782 3.226838 0.369396
C 2.483084 0.166564 -0.511882
C -3.715301 1.681904 -0.186309
C 2.625683 0.181745 1.877335
C -2.793172 -1.008773 -0.011493
C 3.339273 -0.892540 -0.077577
C 2.244784 0.352749 -1.859449
C -4.201662 2.850034 -1.023545
C -3.973351 -0.701574 -0.607456
C 3.955593 -1.753495 -0.974724
C -2.476056 -2.429306 0.150191
C 2.865908 -0.516665 -2.779263
C 3.701040 -1.543838 -2.343475
C -1.177973 -4.028067 1.395330
H 0.195166 1.093522 1.930251
H -0.099954 -1.150814 0.855166
H -0.148603 -0.424283 -0.758738
H -1.941883 1.241916 -1.356354
H -2.083135 0.219820 1.580357
H 3.150232 2.618176 -0.084372
H 2.798659 2.728920 1.648600
H -1.570874 3.494027 -0.327588
H -1.610686 2.791614 1.316649
H 0.806527 3.874858 1.223458
H 1.206676 3.878253 -0.519403
H -4.072885 1.740201 0.864923
H 3.956523 -1.524851 1.892524
H 1.582628 1.152168 -2.197528
H -3.726855 2.877685 -2.013339
H -5.285886 2.773133 -1.201291
H -4.013369 3.809308 -0.529190
H -4.685763 -1.414845 -1.035484
H 4.605796 -2.557083 -0.646761
H 2.684056 -0.380196 -3.843407
H 4.170496 -2.205394 -3.071977
H -0.601608 -3.960974 2.323308
H -0.573123 -4.388410 0.558020
H -2.076802 -4.642867 1.513300


%chk=000188999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188999

0 1
O -4.335188 0.442118 -1.119207
O 2.580387 0.194409 3.023730
O -1.692738 -2.664684 1.436294
O -3.251621 -3.485119 -0.090007
N 0.108129 2.180617 0.119566
N 3.429147 -0.950036 1.132555
C 0.469206 0.926329 0.831126
C 2.027594 0.915950 0.673548
C -0.325649 -0.277120 0.306742
C -2.146333 1.325312 -0.373681
C -1.842983 0.035714 0.451708
C 2.382756 2.443455 0.830853
C -1.326811 2.511262 0.180797
C 1.037870 3.210287 0.644098
C 2.536838 0.276319 -0.609231
C -3.659812 1.598380 -0.422402
C 2.686247 0.047767 1.777778
C -2.776766 -1.084110 0.000733
C 3.365364 -0.831423 -0.280613
C 2.318771 0.605977 -1.955882
C -4.093618 2.836949 -1.203416
C -3.880885 -0.813114 -0.772683
C 3.987941 -1.621294 -1.262719
C -2.621351 -2.503156 0.387086
C 2.935765 -0.179703 -2.965713
C 3.758772 -1.277638 -2.619684
C -1.528293 -4.054080 1.919635
H 0.269323 1.024526 1.932650
H -0.073819 -1.177304 0.889936
H -0.082681 -0.468494 -0.754149
H -1.810870 1.148525 -1.416536
H -2.029074 0.254419 1.527155
H 3.134543 2.736105 0.080438
H 2.801291 2.627776 1.834965
H -1.499476 3.420334 -0.424244
H -1.658188 2.737173 1.230697
H 0.690611 3.609505 1.628855
H 1.117469 4.058543 -0.059442
H -4.079897 1.614932 0.605505
H 3.963907 -1.652514 1.643164
H 1.670779 1.451099 -2.210496
H -3.620533 2.859061 -2.200889
H -5.188623 2.829786 -1.338222
H -3.821144 3.758515 -0.660177
H -4.522489 -1.606691 -1.167453
H 4.627093 -2.471417 -1.000638
H 2.772938 0.063698 -4.021105
H 4.228784 -1.873991 -3.409694
H -0.787756 -3.983014 2.729238
H -1.168802 -4.705989 1.105452
H -2.489226 -4.446655 2.292981


