%chk=000228597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228597

0 1
O 0.909127 4.017879 -0.394604
O -2.450839 1.621981 -2.382697
O 1.720718 3.307177 1.567544
O -5.116954 -1.941363 -0.015815
O -3.708029 -2.745601 1.718256
O 1.695708 -2.144348 -2.083666
O 4.290962 -0.225474 1.661167
O 4.263577 -1.946547 -0.734235
C -0.730158 2.353240 -0.851534
C -0.379558 2.328897 0.650543
C -2.219617 1.988813 -1.007308
C -0.352778 0.883695 1.161819
C -2.513041 0.705629 -0.225858
C -1.669738 0.217926 0.782976
C -0.200946 3.718187 -1.306506
C 0.871932 3.186912 0.731767
C -3.181263 3.110929 -0.615676
C 0.848514 0.111160 0.642345
C -3.710178 0.027833 -0.582848
C -1.999242 -0.958077 1.511513
C -4.013865 -1.107526 0.126313
C -3.167349 -1.593534 1.168165
C 2.062866 0.244631 1.316569
C 0.749892 -0.726472 -0.476527
C 1.883796 -1.414183 -0.925389
C 3.204897 -0.448403 0.863782
C -4.948216 -3.004908 0.977361
C 3.134022 -1.267689 -0.284250
C 2.183464 -3.514139 -2.060417
C 5.537014 -0.905074 1.356005
C 4.805457 -1.373660 -1.961440
H -0.149934 1.555010 -1.395585
H -1.163945 2.881501 1.240049
H -0.283496 0.913778 2.285517
H 0.257907 3.715873 -2.307292
H -0.915872 4.549172 -1.204030
H -3.181874 3.287399 0.466954
H -2.943812 4.060608 -1.104992
H -4.213102 2.850693 -0.892344
H -4.330241 0.391054 -1.402531
H -1.343884 -1.342722 2.290095
H -2.411524 2.400453 -2.968893
H 2.169051 0.904240 2.181544
H -0.192575 -0.868114 -1.006481
H -4.825472 -3.954201 0.439362
H -5.782660 -2.939478 1.687565
H 2.092656 -3.807297 -3.111673
H 1.521326 -4.105857 -1.421704
H 3.221176 -3.565853 -1.710878
H 5.973957 -0.475516 0.451038
H 5.371765 -1.981988 1.238502
H 6.136020 -0.676598 2.245287
H 4.054494 -1.417262 -2.757735
H 5.654054 -2.031554 -2.170191
H 5.126108 -0.344435 -1.782540


%chk=000228597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228597

0 1
O 0.874074 4.125658 -0.576912
O -2.551332 1.588884 -2.468253
O 1.746827 3.426274 1.463668
O -5.088843 -2.005344 0.190409
O -3.602098 -2.722865 1.935368
O 1.867276 -2.005148 -2.295242
O 4.507105 -0.240619 1.509067
O 4.400536 -1.816442 -0.926253
C -0.799650 2.430845 -0.922566
C -0.367420 2.421232 0.555102
C -2.274604 1.993368 -1.059365
C -0.269602 0.976952 1.105780
C -2.499318 0.715528 -0.220797
C -1.607620 0.280594 0.803457
C -0.352332 3.832228 -1.391786
C 0.873453 3.315095 0.591758
C -3.292541 3.091142 -0.654629
C 0.941661 0.193101 0.567532
C -3.694922 -0.015829 -0.496586
C -1.914749 -0.881398 1.574629
C -3.961164 -1.147015 0.264978
C -3.087860 -1.571361 1.289520
C 2.170306 0.253222 1.266716
C 0.855363 -0.599355 -0.604197
C 1.990269 -1.284353 -1.083539
C 3.313111 -0.430285 0.792951
C -4.796752 -3.114197 1.137119
C 3.240859 -1.182686 -0.413080
C 2.139108 -3.457520 -2.192920
C 5.269653 -1.450013 1.888831
C 4.925744 -1.167163 -2.154049
H -0.192477 1.681603 -1.464921
H -1.128761 2.952867 1.167344
H -0.150411 1.046167 2.204323
H -0.040582 3.882305 -2.446415
H -1.086610 4.628946 -1.174133
H -3.132953 3.442052 0.380515
H -3.231226 3.969645 -1.325850
H -4.315710 2.685105 -0.716736
H -4.353036 0.293172 -1.311417
H -1.231463 -1.223664 2.356791
H -2.589732 2.405702 -3.029861
H 2.275928 0.857910 2.172491
H -0.087447 -0.723034 -1.145901
H -4.559562 -4.028205 0.561386
H -5.654243 -3.241880 1.816054
H 2.032339 -3.846336 -3.217152
H 1.393530 -3.936351 -1.529702
H 3.158855 -3.642355 -1.811067
H 5.556546 -2.033006 0.998459
H 4.669069 -2.075852 2.577281
H 6.160415 -1.070281 2.412082
H 4.165746 -1.191473 -2.955677
H 5.810296 -1.755157 -2.443499
H 5.217250 -0.123614 -1.934706


