%chk=000228696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228696

0 1
O -1.283125 0.027030 1.170128
O -1.275836 0.004447 -1.181228
C -1.101212 0.822846 -0.012743
C 0.381063 1.226347 -0.011891
C 1.304751 0.001981 0.000978
C 2.781554 0.410850 0.002300
C -2.649675 -1.621232 0.005891
C -2.062299 2.009401 -0.027256
C -2.502174 -0.736768 1.244761
C -2.494535 -0.760575 -1.248719
C 3.700244 -0.819283 0.014823
C 5.175597 -0.424425 0.015941
H 0.577054 1.861333 0.873979
H 0.582188 1.846548 -0.907011
H 1.070296 -0.620459 0.888764
H 1.075852 -0.634878 -0.877986
H 3.003353 1.034366 -0.884808
H 2.997909 1.048255 0.880843
H -1.858390 -2.399572 0.015742
H -3.615115 -2.155352 0.008035
H -1.911739 2.644561 0.853284
H -1.910761 2.623413 -0.922520
H -3.110310 1.695016 -0.023952
H -3.351588 -0.044550 1.373341
H -2.349132 -1.321695 2.170047
H -2.335944 -1.363076 -2.161715
H -3.343042 -0.070926 -1.395675
H 3.479136 -1.443430 0.902780
H 3.484267 -1.457611 -0.864271
H 5.435811 0.164048 -0.871064
H 5.821958 -1.308872 0.024760
H 5.430742 0.177963 0.895042


%chk=000228696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228696

0 1
O -1.315580 -0.022646 1.212239
O -1.313480 -0.039071 -1.228092
C -1.106687 0.780623 -0.013149
C 0.383058 1.163247 -0.014371
C 1.348833 -0.040279 0.001913
C 2.830102 0.398208 -0.001973
C -2.761253 -1.630980 0.001682
C -2.027134 2.019148 -0.021558
C -2.604725 -0.740880 1.248642
C -2.602387 -0.758132 -1.257102
C 3.812072 -0.796069 0.021393
C 5.293418 -0.360323 0.016524
H 0.563613 1.802581 0.871547
H 0.567441 1.782212 -0.913862
H 1.139149 -0.653889 0.898122
H 1.141091 -0.676865 -0.878591
H 3.033638 1.018295 -0.900845
H 3.029215 1.048861 0.876074
H -1.980112 -2.412356 0.007928
H -3.752191 -2.126046 0.004201
H -1.824108 2.633136 0.872438
H -1.825226 2.621743 -0.923629
H -3.098586 1.756042 -0.019280
H -3.451219 -0.024098 1.322981
H -2.567076 -1.332215 2.177945
H -2.562779 -1.362241 -2.178079
H -3.448900 -0.042620 -1.343149
H 3.608449 -1.413987 0.919600
H 3.611963 -1.446224 -0.854572
H 5.528005 0.233646 -0.887238
H 5.974671 -1.231159 0.034960
H 5.523624 0.268040 0.897902


