%chk=000287620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287620

0 1
O -5.400514 0.401463 -0.041918
O -4.081253 -1.042127 1.179577
O 4.662860 -2.088239 0.158000
C -1.269954 0.301493 -0.964793
C 0.244884 -0.077126 -0.879010
C 1.080461 1.150865 -0.439324
C -1.724697 1.024366 0.294719
C -2.101985 -0.984266 -1.199271
C 0.552106 -1.249504 0.069730
C -4.033695 -0.074167 0.107149
C -3.201200 1.118190 0.568790
C -3.607100 -0.729206 -1.204225
C 0.616524 1.687301 0.932789
C -1.468286 1.264978 -2.156750
C -0.867393 1.652957 1.112932
C 2.552834 0.808489 -0.359609
C 2.023516 -1.664739 -0.042957
C 2.973857 -0.507180 -0.145766
C 3.501407 1.845869 -0.478975
C -6.317537 -0.487254 0.629823
C -5.436351 -1.497989 1.376833
C 4.369794 -0.753222 -0.051318
C 4.861423 1.573711 -0.382242
C 5.316291 0.265582 -0.164277
C 6.054488 -2.458876 0.296897
H 0.575549 -0.371154 -1.905817
H 0.932756 1.957197 -1.202111
H -1.871692 -1.723603 -0.400601
H -1.798245 -1.454885 -2.152506
H -0.095270 -2.119590 -0.152532
H 0.311916 -0.962013 1.112432
H -3.388222 1.264352 1.656301
H -3.605269 2.032386 0.075699
H -3.902300 -0.073854 -2.048291
H -4.157968 -1.677334 -1.349707
H 0.991281 2.721762 1.068214
H 1.086930 1.091560 1.746885
H -0.878266 2.180278 -2.030495
H -1.170483 0.802739 -3.102291
H -2.516907 1.567241 -2.252836
H -1.215899 2.180907 2.000755
H 2.169238 -2.316698 -0.931680
H 2.304943 -2.295922 0.827918
H 3.162611 2.865000 -0.646017
H -6.950870 -0.937768 -0.150914
H -6.920445 0.158299 1.289289
H -5.575597 -1.503343 2.470114
H -5.500859 -2.522725 0.977156
H 5.587202 2.380637 -0.475614
H 6.378798 0.068736 -0.089677
H 6.601590 -2.233506 -0.622904
H 5.983357 -3.542306 0.456803
H 6.496041 -1.962561 1.165724


%chk=000287620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287620

0 1
O -5.583295 0.306070 -0.188276
O -4.060152 -0.875042 1.205024
O 4.816879 -2.087568 0.076368
C -1.282857 0.238497 -1.042872
C 0.246156 -0.118186 -0.889888
C 1.049926 1.090752 -0.327394
C -1.809694 1.040398 0.161159
C -2.144597 -1.062150 -1.171528
C 0.588799 -1.368093 -0.039497
C -4.137114 -0.026124 -0.013466
C -3.317908 1.252286 0.229983
C -3.663921 -0.796098 -1.254316
C 0.514082 1.507355 1.074247
C -1.448096 1.084835 -2.347753
C -0.995174 1.579660 1.107216
C 2.547781 0.806842 -0.251921
C 2.091077 -1.723095 -0.157295
C 3.024770 -0.522002 -0.131328
C 3.465888 1.890555 -0.258585
C -6.301957 -0.198360 1.000835
C -5.427063 -1.381431 1.450136
C 4.430668 -0.733482 -0.022357
C 4.849208 1.662117 -0.141175
C 5.345901 0.343305 -0.018686
C 6.245083 -2.377170 0.203404
H 0.620927 -0.322480 -1.917488
H 0.899329 1.959605 -0.998756
H -1.977654 -1.697168 -0.283368
H -1.812868 -1.634509 -2.060612
H 0.009751 -2.245922 -0.374942
H 0.314105 -1.193781 1.018021
H -3.605899 1.680960 1.205953
H -3.637658 1.971059 -0.551156
H -3.929730 -0.208078 -2.151667
H -4.219374 -1.750270 -1.316245
H 0.947097 2.489728 1.350344
H 0.884603 0.801283 1.846705
H -0.768212 1.955083 -2.345687
H -1.212567 0.467296 -3.235641
H -2.473770 1.474173 -2.471389
H -1.448913 2.111697 1.956742
H 2.265366 -2.273267 -1.105802
H 2.382462 -2.432258 0.640132
H 3.085037 2.913781 -0.362561
H -7.316171 -0.483715 0.677334
H -6.356666 0.583556 1.783675
H -5.497475 -1.618595 2.523248
H -5.628221 -2.287438 0.843737
H 5.550408 2.504159 -0.149131
H 6.422938 0.173210 0.068697
H 6.809687 -2.022901 -0.681379
H 6.312392 -3.473324 0.270881
H 6.671086 -1.920554 1.118420


