%chk=000228656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228656

0 1
O -0.429217 -3.267564 0.020385
O 1.571504 -0.976353 0.126282
O 1.644899 -0.756299 2.373819
C -4.584876 0.605128 -0.022985
C -4.449839 1.563571 -1.227232
C -3.459326 -0.408321 0.007063
C -5.944738 -0.106216 -0.047023
C -3.284689 -1.326999 -1.045310
C -2.578154 -0.440098 1.095458
C -3.197160 2.430502 -1.135358
C -1.377295 -2.260732 0.086162
C 1.876310 -2.414122 0.202895
C -2.249336 -2.255092 -1.020013
C -1.529754 -1.363799 1.147847
C 0.730382 -3.182685 0.880496
C 2.079063 -2.788485 -1.252587
C 1.201957 1.189990 0.949826
C 1.504444 -0.246336 1.286049
C 2.453580 1.945609 0.595391
C 2.893659 3.004463 1.400798
C 3.173405 1.594677 -0.557806
C 4.045904 3.713785 1.046661
C 4.322679 2.306846 -0.904434
C 4.759984 3.368792 -0.104316
H -4.540320 1.223163 0.911000
H -5.347887 2.209380 -1.281263
H -4.437962 0.986590 -2.171722
H -6.100722 -0.663367 -0.976876
H -6.025832 -0.824847 0.777309
H -6.769790 0.606497 0.053095
H -3.968483 -1.310278 -1.894055
H -2.707232 0.258775 1.921739
H -2.289805 1.814838 -1.092599
H -3.206678 3.064453 -0.242184
H -3.106821 3.089145 -2.006202
H 2.806455 -2.510522 0.809752
H -2.102642 -2.970781 -1.824382
H -0.860559 -1.390160 2.005893
H 0.471125 -2.752311 1.867045
H 0.991685 -4.252981 1.000736
H 1.114301 -2.815819 -1.786635
H 2.541883 -3.775984 -1.354334
H 2.711985 -2.054460 -1.768234
H 0.480406 1.233760 0.098476
H 0.675617 1.651908 1.814867
H 2.347350 3.274904 2.302409
H 2.832205 0.759447 -1.172167
H 4.387367 4.536639 1.673062
H 4.880303 2.034836 -1.799323
H 5.655765 3.923113 -0.377076


%chk=000228656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228656

0 1
O -0.371459 -3.127565 -0.149104
O 1.646480 -0.898465 0.266698
O 1.811947 -0.671530 2.582860
C -4.880911 0.513086 -0.088185
C -4.796937 1.538878 -1.258893
C -3.681685 -0.437921 -0.071243
C -6.225533 -0.259648 -0.135869
C -3.452604 -1.359247 -1.129779
C -2.750329 -0.425992 0.993435
C -3.570286 2.472020 -1.182444
C -1.422405 -2.190924 -0.046125
C 1.950655 -2.366699 0.374754
C -2.345167 -2.226557 -1.121183
C -1.625598 -1.284897 1.020868
C 0.707666 -3.146027 0.845275
C 2.453954 -2.781914 -1.007462
C 1.404094 1.317729 1.160404
C 1.637705 -0.160949 1.450825
C 2.675602 2.002021 0.655246
C 3.487449 2.750307 1.543726
C 3.067497 1.886142 -0.702915
C 4.668559 3.376674 1.083446
C 4.245480 2.513995 -1.164629
C 5.050291 3.261707 -0.272774
H -4.859993 1.095052 0.857273
H -5.725418 2.145336 -1.257516
H -4.785728 0.987353 -2.221072
H -6.322094 -0.834859 -1.075889
H -6.306408 -0.972675 0.704039
H -7.080500 0.440252 -0.081982
H -4.149338 -1.403381 -1.975727
H -2.899127 0.272439 1.826512
H -2.628985 1.894177 -1.217950
H -3.573171 3.054187 -0.240997
H -3.562264 3.190082 -2.022966
H 2.731426 -2.488062 1.152068
H -2.172413 -2.938738 -1.934277
H -0.938421 -1.229594 1.870565
H 0.369900 -2.789801 1.833310
H 0.989052 -4.210882 0.937018
H 1.654285 -2.669756 -1.757384
H 2.770132 -3.840701 -0.992054
H 3.317328 -2.162624 -1.302718
H 0.599901 1.394933 0.407736
H 1.062218 1.784519 2.098327
H 3.195974 2.840565 2.597025
H 2.449708 1.298543 -1.391540
H 5.286253 3.953799 1.780735
H 4.534784 2.422081 -2.217688
H 5.963534 3.749732 -0.631379


