%chk=000188231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188231

0 1
O -3.100005 1.669241 0.026044
O -4.307527 0.699771 -1.614216
O 3.279253 1.856607 1.298030
O 3.619732 -2.544619 -0.596978
O 4.809199 -0.269369 0.783901
N -3.873234 -1.113855 1.126790
C -3.047583 -0.735927 -0.076254
C -1.573803 -0.587210 0.348688
C -0.657909 -0.325880 -0.853923
C 0.784159 -0.306343 -0.421053
C -3.577955 0.578589 -0.655714
C -5.335249 -0.985001 0.844643
C -3.561885 -2.514510 1.546355
C 1.603637 -1.405109 -0.675682
C 1.291417 0.826716 0.243252
C 2.626205 0.832665 0.641011
C 2.955919 -1.392982 -0.272153
C 3.480890 -0.269215 0.392924
C -3.552317 2.969927 -0.439949
C 2.506730 3.033321 1.640576
C 5.024260 -2.643522 -0.235678
H -3.130632 -1.494154 -0.904599
H -1.485448 0.236132 1.090709
H -1.243182 -1.502219 0.884222
H -0.819913 -1.093505 -1.638145
H -0.920942 0.642233 -1.331616
H -5.594014 0.086843 0.791938
H -5.677656 -1.469276 -0.082276
H -5.910795 -1.402971 1.685782
H -4.076816 -2.711709 2.501549
H -3.855142 -3.291869 0.825974
H -2.479393 -2.610830 1.741659
H 1.228160 -2.289509 -1.186040
H 0.640034 1.671558 0.437657
H -3.253000 3.113744 -1.482700
H -3.036060 3.657010 0.237741
H -4.640015 3.036976 -0.338640
H 5.022601 0.588671 1.243992
H 1.689136 2.764509 2.316450
H 2.141938 3.521209 0.731774
H 3.256196 3.652222 2.150272
H 5.283591 -3.638337 -0.612095
H 5.135578 -2.572815 0.851589
H 5.594740 -1.853211 -0.735309


%chk=000188231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188231

0 1
O -3.319821 1.655785 -0.061963
O -3.869223 0.500492 -2.001789
O 3.319047 1.736504 1.583477
O 3.747798 -2.628362 -0.488910
O 4.841137 -0.349660 1.063125
N -4.000926 -0.954162 1.145521
C -3.086435 -0.766125 -0.017493
C -1.598867 -0.668905 0.413252
C -0.637965 -0.372243 -0.770436
C 0.819060 -0.357318 -0.328889
C -3.481593 0.489911 -0.810262
C -5.424853 -0.946903 0.736978
C -3.681751 -2.161101 1.939954
C 1.675841 -1.438305 -0.622185
C 1.327306 0.748145 0.406875
C 2.665605 0.728032 0.834255
C 3.027560 -1.461902 -0.190135
C 3.528053 -0.370249 0.559378
C -3.669193 2.914664 -0.764276
C 2.535065 2.907125 1.974254
C 5.170722 -2.502931 -0.867877
H -3.192644 -1.604969 -0.754530
H -1.514078 0.118846 1.183452
H -1.286441 -1.624551 0.870854
H -0.782967 -1.135842 -1.558541
H -0.902665 0.604512 -1.221491
H -5.681780 0.017333 0.265036
H -5.685965 -1.762508 0.016994
H -6.058007 -1.059252 1.634301
H -4.424445 -2.255378 2.751527
H -3.704702 -3.106590 1.339784
H -2.688938 -2.071323 2.408678
H 1.319842 -2.297730 -1.199420
H 0.675313 1.599395 0.628093
H -3.037927 3.042796 -1.660122
H -3.482572 3.707202 -0.026256
H -4.728301 2.900014 -1.072486
H 4.949918 0.504138 1.563348
H 1.673808 2.614262 2.604636
H 2.175535 3.456606 1.083291
H 3.222051 3.543010 2.551869
H 5.485649 -3.530078 -1.107539
H 5.769792 -2.089659 -0.041625
H 5.275859 -1.858727 -1.762206


