%chk=000114561.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114561

0 1
O -1.194682 -0.842578 -1.493264
O 1.181106 2.252441 0.134895
O -2.276098 1.993718 1.387729
O 3.410565 -0.103812 -1.190202
N -0.673609 0.901334 0.030492
N 1.562559 -0.007861 0.328451
C -0.410566 -1.527051 0.625684
C -1.267736 -0.445825 -0.110300
C 1.049738 -1.391045 0.125068
C -0.938806 -2.918781 0.256804
C -0.513584 -1.312119 2.139198
C 0.723916 1.112853 0.132061
C -1.572980 2.071066 0.150281
C 3.020303 0.188028 0.148654
C -2.106847 -0.181818 -2.389011
H -2.329004 -0.426339 0.229277
H 1.713836 -2.094247 0.671515
H 1.099142 -1.660434 -0.958409
H -1.956544 -3.076621 0.630582
H -0.973570 -3.054071 -0.835044
H -0.312195 -3.714252 0.673041
H -0.077407 -0.354095 2.448538
H -1.553621 -1.325949 2.483911
H 0.022087 -2.096393 2.686658
H -2.389314 2.031784 -0.600881
H -0.989921 3.017945 0.089362
H 3.581368 -0.562823 0.745119
H 3.297410 1.232495 0.415787
H -1.982917 -0.753626 -3.317882
H -1.799083 0.857576 -2.536892
H -3.135221 -0.251280 -2.025089
H -1.673092 2.105458 2.152669
H 3.077967 0.572521 -1.818104


%chk=000114561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114561

0 1
O -1.388269 -1.034268 -1.555438
O 1.123988 2.158740 0.191296
O -1.434922 2.653862 1.326240
O 3.450301 0.916057 -0.866009
N -0.720739 0.743108 -0.017887
N 1.491182 -0.140288 0.157161
C -0.442855 -1.657210 0.585256
C -1.307555 -0.595605 -0.153009
C 0.993219 -1.526040 0.011043
C -0.976265 -3.080883 0.306068
C -0.472613 -1.372500 2.107905
C 0.657504 0.957335 0.099525
C -1.557903 1.963332 0.057487
C 2.939638 0.156369 0.257838
C -2.216021 -0.176878 -2.404892
H -2.333116 -0.553869 0.275428
H 1.672567 -2.198573 0.565977
H 0.990800 -1.827326 -1.054528
H -2.013209 -3.187536 0.675312
H -0.975082 -3.304265 -0.772587
H -0.355153 -3.830118 0.831911
H -0.097653 -0.365786 2.357072
H -1.504267 -1.452486 2.497186
H 0.146564 -2.115252 2.643552
H -2.612324 1.658237 -0.025386
H -1.280997 2.636743 -0.777423
H 3.480440 -0.801737 0.253023
H 3.117595 0.700002 1.207413
H -2.257854 -0.674434 -3.385900
H -1.769370 0.830101 -2.524201
H -3.245013 -0.077046 -1.998320
H -0.508316 3.021361 1.345081
H 3.018901 1.813053 -0.805497


