%chk=000191437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191437

0 1
O 2.338573 0.750602 -0.525513
O 0.239072 1.024662 2.950606
O 2.693703 2.976274 -0.305345
N -0.121830 0.854781 0.702577
N -1.989184 1.388219 -1.611981
C 1.889596 -0.207576 1.684331
C 1.544396 -1.620922 1.276089
C 2.917280 0.492942 0.787409
C 0.601445 0.613792 1.860226
C 1.149767 -2.527395 2.274886
C 1.594349 -2.042805 -0.059064
C -1.327101 1.713422 0.719574
C 0.820210 -3.841727 1.938077
C 1.265977 -3.360846 -0.390262
C -2.328848 1.218760 -0.301212
C 0.880002 -4.262766 0.605110
C -3.543855 0.629524 0.091804
C 2.232445 2.071493 -0.953815
C -4.437230 0.210718 -0.897925
C -2.868286 0.972593 -2.559865
C -4.103257 0.382953 -2.244250
C 1.503290 2.086770 -2.245494
H 2.359934 -0.246732 2.713200
H 3.779521 -0.163354 0.567516
H 3.263669 1.447666 1.233808
H 0.181816 0.490439 -0.203015
H 1.092053 -2.204717 3.314529
H 1.890075 -1.345101 -0.845980
H -1.760621 1.725746 1.751608
H -1.038893 2.770368 0.489845
H 0.515188 -4.539881 2.716284
H 1.311061 -3.683538 -1.429202
H 0.625434 -5.288123 0.345167
H -3.778623 0.496225 1.146501
H -5.386682 -0.248591 -0.620308
H -2.560220 1.125922 -3.600675
H -4.781902 0.067109 -3.032731
H 1.815317 2.938826 -2.868517
H 1.642448 1.161642 -2.824892
H 0.409510 2.189925 -2.079803


%chk=000191437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191437

0 1
O 1.704783 0.681278 -0.671891
O -0.132362 0.142898 3.208617
O 3.124528 2.342799 -1.481531
N -0.561504 0.519957 0.964412
N -2.003051 1.228582 -1.221318
C 1.736783 -0.198067 1.649650
C 1.827639 -1.709610 1.366760
C 2.430923 0.718852 0.634483
C 0.273046 0.187416 2.000512
C 1.486296 -2.605931 2.415206
C 2.247905 -2.244851 0.123610
C -1.966249 0.820010 1.222916
C 1.566369 -4.001745 2.226382
C 2.334025 -3.644577 -0.063025
C -2.709146 1.189551 -0.051094
C 1.994169 -4.528617 0.984721
C -4.096782 1.478881 0.001409
C 2.152510 1.579005 -1.659426
C -4.775479 1.817163 -1.186090
C -2.673335 1.556617 -2.366941
C -4.050312 1.857038 -2.401347
C 1.299537 1.449266 -2.899999
H 2.273590 -0.017714 2.602235
H 3.474207 0.399724 0.458169
H 2.441470 1.766153 0.985096
H -0.227487 0.565250 -0.007342
H 1.148078 -2.197577 3.375062
H 2.496615 -1.576036 -0.705623
H -2.456851 -0.050719 1.704900
H -2.049024 1.643776 1.961409
H 1.299714 -4.677274 3.047129
H 2.663714 -4.042595 -1.029762
H 2.061347 -5.612457 0.837354
H -4.625889 1.435971 0.959638
H -5.846449 2.044175 -1.167954
H -2.075041 1.575305 -3.285540
H -4.536157 2.112906 -3.347599
H 1.465810 2.316223 -3.555995
H 1.573075 0.528470 -3.446919
H 0.238587 1.367806 -2.610975


