%chk=000180538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180538

0 1
O -0.099750 0.870130 0.064318
O -2.793061 -0.321391 2.779550
O -1.407540 0.983666 -1.772931
O 1.421440 -0.758452 -0.140167
O 2.107481 2.824920 -0.637718
O 4.369219 1.811310 1.025660
O 5.044920 -0.810624 -0.033806
O 2.153681 -3.522134 -0.931602
C -2.338583 0.416547 0.519694
C -2.469846 -0.823645 1.465644
C -3.755833 0.594819 -0.084173
C -3.749712 -1.581968 1.044818
C -4.348795 -0.831717 -0.152259
C -1.254351 0.240935 -0.536069
C -1.223481 -1.692517 1.565867
C -3.757009 1.298898 -1.401150
C 1.153429 0.603032 -0.552684
C 2.127035 1.603197 0.112563
C -2.643293 1.480357 -2.116701
C 3.595369 1.140323 0.021463
C 3.754046 -0.353603 0.382457
C 2.761845 -1.223724 -0.419168
C 2.754993 -2.684445 0.056147
H -2.082514 1.317080 1.133095
H -4.357151 1.197756 0.645249
H -4.454169 -1.590709 1.903151
H -3.546030 -2.637261 0.808437
H -4.080475 -1.322771 -1.104004
H -5.449623 -0.810297 -0.114524
H -1.023702 -0.789820 -0.866150
H -0.294782 -1.098392 1.586667
H -1.249254 -2.299042 2.480801
H -1.128933 -2.388976 0.725916
H -4.719690 1.670745 -1.740964
H 1.103861 0.661694 -1.656554
H 1.827240 1.806270 1.167458
H -2.012799 0.062117 3.220647
H 4.022522 1.376377 -0.981669
H -2.521116 2.001351 -3.062125
H 3.653054 -0.495398 1.483120
H 2.956950 -1.161672 -1.513815
H 2.222643 -2.797869 1.017639
H 3.792223 -3.076304 0.132397
H 1.210157 3.232759 -0.593114
H 4.364511 2.782536 0.854989
H 5.742837 -0.265799 0.405318
H 1.215537 -3.262389 -1.063217


%chk=000180538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180538

0 1
O -0.087420 0.836928 0.406325
O -3.733476 -0.305663 2.507691
O -1.326051 1.540804 -1.425321
O 1.439061 -0.917470 0.039241
O 2.065012 2.796785 0.029303
O 4.700677 1.689698 0.544227
O 5.122703 -0.927585 -0.565909
O 1.736161 -3.578370 -0.880901
C -2.501352 0.559414 0.569941
C -2.629519 -0.647729 1.560525
C -3.814926 0.447533 -0.270146
C -3.221630 -1.783421 0.690224
C -4.085882 -1.095857 -0.409881
C -1.277517 0.510143 -0.351158
C -1.383685 -1.046969 2.362457
C -3.742854 1.205547 -1.574073
C 1.155993 0.501813 -0.243301
C 2.238295 1.388979 0.392536
C -2.578308 1.710487 -2.053075
C 3.616140 0.980503 -0.141002
C 3.875218 -0.517727 0.077832
C 2.740799 -1.347555 -0.553808
C 2.844008 -2.846092 -0.264553
H -2.453622 1.519253 1.118806
H -4.623143 0.871533 0.353857
H -3.808225 -2.461413 1.331868
H -2.398787 -2.373152 0.245511
H -3.803401 -1.446304 -1.418834
H -5.158981 -1.312545 -0.275306
H -1.159825 -0.471881 -0.854513
H -1.013648 -0.202829 2.974455
H -1.643770 -1.882107 3.037430
H -0.549697 -1.357421 1.711417
H -4.661039 1.378249 -2.144764
H 1.089363 0.665143 -1.341345
H 2.190088 1.248592 1.492697
H -3.395498 0.378520 3.141553
H 3.647010 1.201800 -1.230930
H -2.474607 2.308983 -2.961686
H 3.915995 -0.708368 1.172631
H 2.717292 -1.177391 -1.651360
H 2.871031 -3.006601 0.834426
H 3.767125 -3.243934 -0.711664
H 1.136206 3.065201 0.249635
H 4.531808 2.662664 0.458711
H 5.823402 -0.284958 -0.280789
H 0.896976 -3.149330 -0.570481


