%chk=000202054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202054

1 1
O 0.769391 2.412100 -0.924520
O 0.433507 -0.000913 -1.261195
N 4.205613 -0.554129 -0.641718
C 4.041119 0.973853 -0.573627
C 2.733648 1.401204 0.088111
C 3.194593 -1.148467 -1.591227
C 5.600398 -0.862532 -1.148086
C 4.034784 -1.172866 0.727182
C 2.137722 2.675486 -0.523944
C -0.589080 -0.107527 -0.234271
C -0.882433 1.246918 0.396904
C -0.188726 2.429908 0.100093
C -1.861273 -0.641221 -0.886884
C 0.074532 -1.101178 0.719115
C -1.939198 1.341374 1.323238
C -0.492080 3.657357 0.706566
C -2.660411 -1.593313 -0.239647
C 0.370833 -2.386876 0.234107
C -2.249205 -0.145184 -2.139753
C 0.420299 -0.764681 2.033158
C -2.257218 2.551968 1.937059
C -1.534544 3.712811 1.629713
C -3.833596 -2.050844 -0.846684
C 0.994028 -3.324731 1.058923
C -3.421181 -0.607095 -2.744642
C 1.040724 -1.708780 2.859208
C -4.215125 -1.560653 -2.099431
C 1.327486 -2.988104 2.375891
H 4.101303 1.372713 -1.615342
H 4.908850 1.402863 -0.020748
H 1.944413 0.602104 -0.023810
H 2.865044 1.525690 1.180446
H 3.319902 -0.775138 -2.621437
H 3.243935 -2.249764 -1.618150
H 2.140430 -0.882582 -1.290288
H 6.380821 -0.489717 -0.459442
H 5.761423 -1.951999 -1.260822
H 5.785571 -0.409145 -2.139893
H 4.672162 -0.681654 1.482588
H 2.981671 -1.101687 1.081465
H 4.283936 -2.250165 0.724126
H 2.591357 2.962201 -1.491742
H 2.171963 3.532514 0.170362
H -2.523506 0.447906 1.561872
H 0.059398 4.554721 0.431260
H -2.375027 -1.986152 0.736412
H 0.086500 -2.652909 -0.787475
H -1.641519 0.603677 -2.645713
H 0.190851 0.224592 2.433728
H 0.283276 0.794167 -1.840503
H -3.080616 2.599258 2.651855
H -1.794712 4.660726 2.105069
H -4.453035 -2.791687 -0.340531
H 1.194891 -4.329556 0.686204
H -3.719136 -0.219795 -3.719193
H 1.279386 -1.450177 3.891638
H -5.130716 -1.918691 -2.570958
H 1.787880 -3.729599 3.029587


%chk=000202054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202054

1 1
O 1.340469 1.860366 0.198479
O 0.296041 0.056925 -1.402003
N 4.415447 -0.554940 -1.023077
C 3.912047 0.809469 -0.486552
C 3.367724 0.794381 0.955295
C 3.284027 -1.590026 -1.042371
C 4.901801 -0.340107 -2.456846
C 5.570213 -1.070600 -0.171075
C 2.432119 2.001133 1.179676
C -0.757828 -0.036884 -0.333907
C -1.045075 1.389617 0.208389
C 0.013860 2.285294 0.535113
C -1.994471 -0.643598 -1.021359
C -0.216685 -0.972433 0.778103
C -2.360699 1.851017 0.452652
C -0.208055 3.559051 1.091978
C -2.933174 -1.415731 -0.292514
C 0.201482 -2.278539 0.402482
C -2.238230 -0.372586 -2.389971
C -0.132070 -0.601970 2.142034
C -2.608578 3.124186 1.014286
C -1.533587 3.977704 1.344003
C -4.095128 -1.914426 -0.923878
C 0.709394 -3.180418 1.360858
C -3.396488 -0.876150 -3.022221
C 0.381470 -1.503539 3.106861
C -4.330709 -1.646786 -2.291694
C 0.808566 -2.793334 2.721245
H 3.124599 1.130116 -1.187901
H 4.764756 1.505848 -0.579984
H 2.770110 -0.111386 1.157976
H 4.188193 0.842086 1.694415
H 2.378370 -1.149512 -1.493933
H 3.626227 -2.459758 -1.625012
H 3.045897 -1.904576 -0.016732
H 5.677939 0.440558 -2.465366
H 5.317100 -1.284134 -2.841179
H 4.048897 -0.029486 -3.079131
H 6.396698 -0.343589 -0.202051
H 5.224646 -1.204435 0.863667
H 5.907098 -2.037877 -0.574453
H 2.952123 2.965646 1.018927
H 2.021313 1.976246 2.204782
H -3.202634 1.198051 0.205634
H 0.635669 4.223547 1.307179
H -2.758367 -1.636183 0.766599
H 0.101170 -2.582678 -0.645802
H -1.508115 0.218100 -2.949686
H -0.494546 0.380189 2.464438
H 0.936522 0.738590 -1.043860
H -3.639441 3.445999 1.191422
H -1.720194 4.966236 1.775586
H -4.812113 -2.510837 -0.349329
H 0.998940 -4.193392 1.058217
H -3.571887 -0.665426 -4.082943
H 0.423007 -1.205283 4.160412
H -5.229789 -2.035118 -2.782309
H 1.185230 -3.498021 3.470635


