%chk=000228319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228319

0 1
O -0.968833 -1.557599 0.502569
O -3.005648 -2.171380 -0.263241
C -0.334928 1.298617 0.024295
C 1.661541 -0.266700 0.112053
C -1.073381 0.379743 -0.980946
C 1.189032 1.173652 -0.169487
C -0.570004 -1.072089 -0.838059
C 0.948363 -1.241996 -0.845994
C -0.795710 2.778435 -0.062421
C 3.206029 -0.380285 -0.015419
C -0.935379 0.819764 -2.440684
C -2.319721 2.904638 0.073375
C -0.121126 3.626176 1.027526
C 3.907328 0.537842 0.996793
C 3.686171 -1.823421 0.194245
C -2.223780 -2.085818 0.656738
C -2.409021 -2.505157 2.075080
H -0.586459 0.919347 1.048292
H 1.368658 -0.539451 1.156084
H -2.163273 0.378680 -0.717514
H 1.711802 1.877556 0.508819
H 1.470008 1.477559 -1.194091
H -1.058779 -1.737774 -1.585302
H 1.316201 -1.100300 -1.880639
H 1.193037 -2.285946 -0.564477
H -0.494221 3.185120 -1.058944
H 3.499547 -0.058444 -1.044756
H -1.347561 1.824747 -2.590443
H 0.112232 0.848412 -2.761011
H -1.475783 0.146351 -3.115745
H -2.679487 2.468104 1.011157
H -2.631292 3.954640 0.062357
H -2.845411 2.402472 -0.746130
H -0.401311 3.289388 2.031282
H -0.408619 4.679182 0.943024
H 0.971839 3.576488 0.957985
H 3.662802 0.260893 2.028001
H 4.995989 0.483018 0.892442
H 3.617633 1.585970 0.860545
H 3.339515 -2.228382 1.151329
H 4.780299 -1.879430 0.194246
H 3.329299 -2.490867 -0.596575
H -3.256160 -1.969952 2.530949
H -1.515702 -2.311217 2.689207
H -2.634939 -3.580985 2.135588


%chk=000228319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228319

0 1
O -0.966427 -1.604557 0.569136
O -3.053800 -2.210136 -0.289377
C -0.339806 1.310805 0.044821
C 1.715642 -0.275079 0.126585
C -1.060045 0.359737 -0.962651
C 1.202903 1.177515 -0.077166
C -0.550107 -1.091135 -0.791642
C 0.975081 -1.237134 -0.837910
C -0.821969 2.795718 -0.057778
C 3.266370 -0.381124 -0.035539
C -0.929276 0.785807 -2.446902
C -2.365464 2.913369 0.015866
C -0.194472 3.683015 1.048172
C 4.022777 0.556227 0.939550
C 3.777338 -1.832244 0.157115
C -2.257683 -2.125365 0.675427
C -2.548471 -2.541041 2.103139
H -0.616148 0.954883 1.063016
H 1.464179 -0.581088 1.165673
H -2.140789 0.339666 -0.724351
H 1.675752 1.830513 0.675834
H 1.537456 1.548804 -1.070239
H -1.039499 -1.744120 -1.539461
H 1.307447 -1.041782 -1.878528
H 1.225541 -2.289247 -0.614328
H -0.491622 3.198056 -1.039613
H 3.513936 -0.066051 -1.074084
H -1.410335 1.764161 -2.621277
H 0.123043 0.869454 -2.772809
H -1.429368 0.050699 -3.104948
H -2.748027 2.465038 0.953658
H -2.673690 3.975482 0.001767
H -2.869903 2.411091 -0.828339
H -0.419464 3.272613 2.052343
H -0.608546 4.707725 1.003604
H 0.902428 3.767059 0.953709
H 3.744641 0.334522 1.988694
H 5.115397 0.412615 0.844853
H 3.811273 1.622956 0.749464
H 3.476989 -2.222934 1.149191
H 4.881554 -1.864626 0.103402
H 3.389340 -2.523303 -0.611570
H -2.883770 -1.659620 2.680690
H -1.644240 -2.938292 2.590263
H -3.355368 -3.289052 2.114644


