%chk=000234549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234549

0 1
O -0.331074 -2.042798 -1.628561
O -0.319582 0.885933 2.024996
O 0.874378 -2.791807 0.099743
O 0.902920 -0.953884 2.369539
O -2.189965 -1.868727 1.232430
O 5.139800 -1.577574 0.970395
O 5.414115 2.144394 -1.837967
O -6.375939 1.437140 -1.626921
O -7.944047 0.315694 -0.242452
O 6.595291 0.193533 -0.577927
C -0.017470 -0.454693 0.097689
C 0.898663 0.514273 -0.688868
C -1.489721 -0.083737 -0.192228
C 2.397736 0.383142 -0.564312
C 0.250787 -1.886698 -0.384270
C 0.266078 -0.291117 1.596424
C -2.518244 -0.946435 0.515967
C 3.158283 1.328891 -1.276142
C 3.025708 -0.598270 0.196217
C -3.956299 -0.603019 0.306469
C 4.430517 -0.660245 0.242568
C 4.556823 1.276165 -1.214855
C 5.220187 0.270374 -0.468490
C -4.364047 0.344322 -0.670801
C -4.889200 -1.263288 1.113762
C -5.715616 0.569769 -0.764217
C -6.665317 -0.104150 0.067707
C -6.278047 -1.025635 1.014878
C -7.802498 1.301038 -1.323968
C 4.387757 -2.565932 1.728216
C 4.837782 3.171170 -2.683437
C 7.298893 0.326952 0.687769
H 0.621154 1.555946 -0.397175
H 0.639652 0.424287 -1.771863
H -1.657347 0.980801 0.097194
H -1.664848 -0.146168 -1.292283
H 2.665369 2.093657 -1.863184
H 2.456110 -1.337563 0.762818
H -3.658736 0.861160 -1.315367
H -4.529709 -1.995069 1.849165
H -0.173548 -2.953552 -2.002937
H -0.152192 1.055677 2.992860
H -6.991953 -1.544541 1.649791
H -8.301809 0.894927 -2.213858
H -8.163215 2.266877 -0.945792
H 3.768072 -2.074355 2.485646
H 3.781082 -3.180197 1.053718
H 5.193682 -3.152257 2.184118
H 4.281455 2.718443 -3.508720
H 4.217873 3.849396 -2.091373
H 5.739416 3.679861 -3.050983
H 7.078785 1.295150 1.140986
H 7.030366 -0.502526 1.352015
H 8.344289 0.261071 0.368773


%chk=000234549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234549

0 1
O -0.829000 -2.737723 -1.099694
O 0.085652 1.111879 1.501867
O 0.881875 -3.048464 0.418188
O 1.000585 -0.867425 2.280251
O -2.153655 -1.642562 1.493182
O 5.353228 -1.643164 0.830860
O 5.220546 2.502826 -1.550671
O -6.326659 1.571359 -1.708096
O -7.940630 0.610615 -0.209699
O 6.631402 0.596611 -0.275596
C -0.002121 -0.735216 -0.029954
C 0.954972 -0.090742 -1.125291
C -1.443174 -0.244124 -0.355916
C 2.442348 0.065314 -0.811802
C 0.082884 -2.269743 -0.134880
C 0.419069 -0.254026 1.371954
C -2.502766 -0.845045 0.569532
C 3.102029 1.214378 -1.310120
C 3.176969 -0.904718 -0.096687
C -3.932590 -0.466358 0.369038
C 4.562886 -0.724450 0.122605
C 4.491863 1.391544 -1.101253
C 5.244777 0.419975 -0.380382
C -4.333382 0.433683 -0.670810
C -4.902680 -1.027101 1.246289
C -5.691109 0.721327 -0.769397
C -6.645691 0.158389 0.108694
C -6.279577 -0.724504 1.131436
C -7.772152 1.543677 -1.362572
C 4.673575 -2.825264 1.382342
C 4.498440 3.504499 -2.333997
C 7.181901 0.694135 1.092259
H 0.546167 0.913034 -1.340660
H 0.819150 -0.690552 -2.048432
H -1.466167 0.856905 -0.262733
H -1.681957 -0.500091 -1.404060
H 2.524566 1.972166 -1.849063
H 2.675829 -1.788382 0.301257
H -3.616702 0.881169 -1.362880
H -4.547184 -1.708458 2.025294
H -0.728864 -3.724840 -1.173543
H 0.411565 1.430713 2.385959
H -7.024358 -1.154860 1.804904
H -8.343063 1.153726 -2.221568
H -8.090850 2.553147 -1.051596
H 3.865633 -2.536382 2.080049
H 4.252438 -3.454899 0.576223
H 5.459593 -3.378610 1.917089
H 4.070917 3.066165 -3.257403
H 3.690400 3.980789 -1.743304
H 5.255037 4.258070 -2.598295
H 6.733859 1.553544 1.627797
H 7.006136 -0.239278 1.653645
H 8.260642 0.863148 0.952542


