%chk=000189603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189603

0 1
O -3.902277 0.546683 -0.262031
O -0.210704 -2.635587 -0.165752
O -2.920400 -2.179059 -0.540698
O 1.871575 -2.537292 1.283846
N 0.010912 3.560933 -0.086449
C 0.634948 2.227104 0.216525
C -0.335597 1.064601 0.084558
C 1.778616 1.970047 -0.794787
C -1.705931 1.276014 -0.024294
C -1.329157 3.688716 0.573532
C 0.228867 -0.245064 0.040286
C -2.282933 2.659316 -0.043274
C 2.474671 0.695759 -0.409877
C 1.694441 -0.381154 0.096635
C -2.585201 0.167415 -0.171648
C -0.659340 -1.310282 -0.151589
C 0.904917 4.671903 0.362654
C -2.059667 -1.130964 -0.253623
C 3.863479 0.612387 -0.502727
C 2.410769 -1.476667 0.624929
C 4.534229 -0.526614 -0.032652
C 3.821031 -1.561609 0.548904
C -4.909567 -0.489604 -0.390855
C 0.348994 -3.050771 -1.446722
C -2.898571 -3.273100 0.418476
H 1.054512 2.198663 1.261555
H 2.475560 2.829885 -0.821982
H 1.364401 1.899853 -1.824183
H -1.714376 4.713848 0.382305
H -1.285588 3.558914 1.676537
H -2.501511 2.931318 -1.101476
H -3.261790 2.680904 0.481465
H 1.882888 4.577781 -0.138563
H 1.077225 4.720370 1.447955
H 0.469254 5.629640 0.034340
H 4.434541 1.433869 -0.926301
H 5.619723 -0.586711 -0.112279
H 4.311267 -2.441463 0.959774
H 0.864497 -2.584389 1.221919
H -4.715779 -1.096776 -1.283420
H -5.824562 0.104567 -0.491931
H -4.922797 -1.111678 0.507523
H -0.451560 -3.058585 -2.192409
H 0.711899 -4.060187 -1.224722
H 1.167771 -2.385623 -1.737404
H -1.915502 -3.760069 0.406591
H -3.675561 -3.934629 0.022150
H -3.148514 -2.904913 1.415291


%chk=000189603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189603

0 1
O -3.903837 0.486519 -0.404329
O -0.111329 -2.656996 -0.363120
O -2.823125 -2.275953 -0.638485
O 1.861109 -2.638432 1.218848
N 0.017276 3.561249 -0.148272
C 0.668657 2.260615 0.150689
C -0.286732 1.068435 0.022723
C 1.862895 1.975768 -0.791389
C -1.677135 1.261418 -0.100118
C -1.296117 3.670273 0.532137
C 0.300713 -0.246916 -0.009384
C -2.278517 2.653490 -0.057453
C 2.580928 0.731374 -0.301283
C 1.786217 -0.388107 0.117962
C -2.553158 0.144891 -0.260416
C -0.600727 -1.320748 -0.215651
C 0.885141 4.713411 0.177286
C -2.007303 -1.160576 -0.325773
C 3.985459 0.716784 -0.196246
C 2.481908 -1.512160 0.688553
C 4.648929 -0.407130 0.349964
C 3.897252 -1.505663 0.795316
C -4.971079 -0.495913 -0.150012
C 0.092747 -3.082234 -1.769171
C -2.942856 -3.294941 0.430057
H 1.068731 2.266125 1.203501
H 2.568802 2.822225 -0.807362
H 1.464893 1.852505 -1.818385
H -1.682105 4.694584 0.379405
H -1.200281 3.512225 1.638165
H -2.557931 2.963436 -1.082750
H -3.217070 2.634625 0.525682
H 1.798392 4.707833 -0.440164
H 1.194428 4.737931 1.253360
H 0.340660 5.647716 -0.045261
H 4.557517 1.591138 -0.526434
H 5.741039 -0.419160 0.436865
H 4.369545 -2.387107 1.239052
H 0.989783 -2.813827 0.722139
H -4.986719 -1.277931 -0.924387
H -5.898335 0.097912 -0.171403
H -4.850280 -0.961978 0.846699
H -0.880791 -3.082000 -2.287368
H 0.507415 -4.100419 -1.718874
H 0.805389 -2.401087 -2.267386
H -1.951064 -3.700466 0.691431
H -3.582093 -4.086532 0.009305
H -3.423139 -2.858506 1.327836


