%chk=000211839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211839

0 1
O -1.773813 2.086021 0.280145
O -3.493195 -0.906757 1.482661
O 0.285393 3.001229 0.458320
O 5.174880 -1.423097 -0.159526
N 0.000659 0.674663 0.055402
C -2.374212 0.761832 0.103927
C -1.189668 -0.206313 -0.107005
C -3.167847 0.488642 1.390298
C -0.377305 2.011788 0.286365
C 1.341085 0.173415 0.010934
C 2.427482 1.057714 0.145319
C 1.569204 -1.208058 -0.173768
C 3.735387 0.574637 0.096108
C 2.869548 -1.694809 -0.224493
C 3.947169 -0.796680 -0.088830
C -4.685305 -1.329496 0.785702
C -4.493537 -1.402677 -0.645565
C 6.357313 -0.598145 -0.032765
C -4.338144 -1.477414 -1.837950
H -3.023409 0.861142 -0.789701
H -1.195273 -1.029455 0.644651
H -1.204728 -0.667397 -1.116662
H -4.065612 1.124631 1.458828
H -2.541792 0.644817 2.293679
H 2.258323 2.131338 0.290250
H 0.741496 -1.906809 -0.276335
H 4.564409 1.268827 0.201946
H 3.072155 -2.755190 -0.365771
H -4.841152 -2.340619 1.231418
H -5.536290 -0.670222 1.056070
H 7.159451 -1.342048 -0.126244
H 6.382675 -0.117005 0.949138
H 6.402933 0.130635 -0.846995
H -4.212677 -1.543540 -2.862851


%chk=000211839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211839

0 1
O -1.796146 1.897268 -0.260198
O -3.332009 -1.179794 1.252840
O 0.266325 2.950038 0.064985
O 5.422588 -1.318427 0.050936
N 0.076352 0.574502 -0.192001
C -2.283421 0.488127 -0.239715
C -1.020324 -0.366647 -0.505886
C -2.908333 0.228187 1.145625
C -0.376805 1.896934 -0.105922
C 1.441404 0.150987 -0.126525
C 2.490324 1.048552 0.201609
C 1.761860 -1.210625 -0.390924
C 3.824602 0.595276 0.268209
C 3.091082 -1.660713 -0.323415
C 4.132898 -0.762362 0.008782
C -4.780696 -1.405173 1.093704
C -5.312379 -1.082004 -0.245034
C 6.528513 -0.423479 0.397273
C -5.769652 -0.814770 -1.358902
H -3.037841 0.385560 -1.032767
H -1.007299 -1.252055 0.152452
H -0.958502 -0.703967 -1.558000
H -3.753326 0.922729 1.313922
H -2.150848 0.383857 1.935337
H 2.261265 2.098766 0.393301
H 0.981072 -1.929673 -0.654702
H 4.608651 1.314392 0.523185
H 3.341326 -2.706356 -0.525738
H -4.911582 -2.480211 1.306724
H -5.337699 -0.827048 1.860530
H 7.427803 -1.056523 0.378420
H 6.396737 0.007503 1.409140
H 6.632936 0.394448 -0.342360
H -6.173270 -0.581700 -2.328187


