%chk=000182940.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182940

0 1
O -0.437798 -3.441042 -1.376372
O -5.181717 -2.046031 -0.373285
O -3.082303 -1.734923 -1.069124
C -0.018637 -3.212738 -0.012506
C -0.193433 -1.730743 0.346015
C 1.430523 -3.729672 0.033827
C -0.088081 -1.481229 1.853349
C 2.399138 -2.788280 -0.614146
C -0.287113 -0.005120 2.189084
C 3.464945 -2.282450 0.012283
C -3.070243 0.973397 -0.012853
C 4.411881 -1.309835 -0.632956
C -3.381091 2.433975 0.331055
C -4.347714 0.130148 -0.066807
C -2.178919 3.326772 0.423502
C 4.297656 0.028931 0.040370
C 0.202423 3.994848 0.096186
C -0.941861 3.024019 0.020444
C 3.794439 2.473625 0.085499
C 3.917519 1.140104 -0.596204
C 1.474186 3.304426 0.498872
C 2.520402 3.159520 -0.318895
C -4.070030 -1.255310 -0.560408
H -0.670130 -3.853912 0.626478
H 0.556274 -1.116617 -0.192956
H -1.177179 -1.382913 -0.035292
H 1.465318 -4.704074 -0.505705
H 1.705978 -3.946222 1.083634
H 0.905025 -1.814626 2.216687
H -0.834871 -2.093939 2.394438
H 2.150115 -2.539721 -1.648409
H -0.266104 0.166344 3.269815
H 0.497222 0.617604 1.739623
H -1.252983 0.370907 1.809604
H -1.259959 -2.938038 -1.574777
H 3.701515 -2.529561 1.045854
H -2.362528 0.550974 0.744556
H -2.537684 0.911707 -0.985151
H -4.071624 2.860251 -0.429991
H -3.933985 2.478775 1.294211
H 4.223466 -1.230945 -1.723926
H 5.454789 -1.684875 -0.544120
H -5.106300 0.602857 -0.732158
H -4.838018 0.083870 0.931523
H -2.406045 4.305099 0.853951
H 4.534605 0.022976 1.104103
H 0.308442 4.492053 -0.894078
H -0.007756 4.818243 0.812254
H -0.680571 2.056011 -0.409877
H 4.664986 3.108343 -0.194178
H 3.857397 2.365819 1.188648
H 3.668967 1.142609 -1.657358
H 1.477907 2.921983 1.519564
H 2.507118 3.525638 -1.345583
H -5.054058 -2.978310 -0.697015


%chk=000182940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182940

0 1
O -0.553249 -3.150492 -1.164756
O -5.450311 -1.670828 -1.604809
O -3.173704 -1.832030 -1.248074
C -0.096368 -3.168857 0.234778
C -0.220761 -1.767057 0.874640
C 1.349819 -3.724430 0.195755
C 0.178231 -1.706643 2.366174
C 2.319554 -2.802764 -0.511350
C -0.104496 -0.322858 2.991680
C 3.445581 -2.286781 0.045745
C -3.152442 1.025998 -0.442332
C 4.392106 -1.310155 -0.638093
C -3.301258 2.269699 0.458431
C -4.411004 0.132727 -0.385651
C -2.129065 3.234306 0.440730
C 4.280420 0.080384 -0.028301
C 0.176789 4.089963 -0.239967
C -0.967274 3.086459 -0.248496
C 3.862328 2.597934 -0.095503
C 4.032469 1.220394 -0.722500
C 1.480696 3.471309 0.242527
C 2.569132 3.262317 -0.542518
C -4.237986 -1.189080 -1.104646
H -0.720895 -3.884080 0.821202
H 0.400101 -1.056644 0.294259
H -1.275829 -1.436993 0.771150
H 1.297467 -4.696703 -0.333786
H 1.693613 -3.927579 1.228002
H 1.255995 -1.938838 2.469764
H -0.369857 -2.489175 2.931683
H 2.045465 -2.533537 -1.541591
H 0.214688 -0.281091 4.049692
H 0.431316 0.473200 2.440459
H -1.184730 -0.082771 2.954224
H -1.440709 -2.705286 -1.216794
H 3.696350 -2.550890 1.086746
H -2.269913 0.436523 -0.133862
H -2.971790 1.341314 -1.487815
H -4.219871 2.827079 0.172318
H -3.475198 1.941860 1.507335
H 4.174181 -1.262485 -1.721469
H 5.435772 -1.676631 -0.531543
H -5.297850 0.645245 -0.797578
H -4.653547 -0.106435 0.671347
H -2.259455 4.139783 1.055374
H 4.382141 0.134405 1.067675
H 0.330412 4.485081 -1.265145
H -0.099638 4.950980 0.401426
H -0.796940 2.189642 -0.861025
H 4.717327 3.244823 -0.388124
H 3.885937 2.510403 1.007028
H 3.917469 1.167895 -1.816660
H 1.504246 3.151396 1.295838
H 2.523386 3.565964 -1.601360
H -5.305352 -2.555265 -2.040934


