%chk=000186443.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186443

0 1
O 0.282617 -0.995127 -0.837421
O -3.952345 -0.379474 -1.184839
O -0.503063 1.126991 -0.767640
O -4.101444 3.379087 1.392201
O -3.745472 1.404113 2.380551
O 1.985742 -1.704992 1.619800
O 2.684295 -2.632061 -0.298218
C -1.863278 -1.874044 0.075792
C -1.057711 -2.632271 1.147293
C -2.465380 -0.599813 0.690466
C -1.028420 -1.555768 -1.172637
C -0.465944 -3.941514 0.635497
C -3.364015 0.138309 -0.265466
C -3.472664 1.642618 -0.045274
C 0.426472 0.350629 -0.681318
C 1.856795 0.700458 -0.445174
C -3.764586 2.045050 1.354921
C 2.821671 -0.206253 0.020933
C 2.231518 2.024602 -0.726353
C 4.149062 0.205037 0.195357
C 3.555886 2.433317 -0.551272
C 4.513980 1.524077 -0.093732
C 2.497081 -1.629026 0.343975
H -2.710618 -2.526127 -0.273063
H -1.714401 -2.836080 2.016868
H -0.245591 -1.974375 1.525032
H -3.054624 -0.840487 1.607547
H -1.656765 0.067222 1.061436
H -0.713979 -2.473024 -1.708661
H -1.545585 -0.866686 -1.864355
H -1.211301 -4.551562 0.111766
H -0.078470 -4.552898 1.457936
H 0.364735 -3.766652 -0.064769
H -4.227567 2.077712 -0.744616
H -2.502298 2.103736 -0.385820
H 1.474958 2.732714 -1.080296
H 4.899013 -0.502166 0.555597
H 3.839918 3.463263 -0.771968
H 5.549431 1.841495 0.041080
H -4.304573 3.696817 2.313974
H 1.733521 -2.639448 1.871568


%chk=000186443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186443

0 1
O 0.365133 -1.012981 -0.854149
O -3.900802 -0.221136 -1.033947
O -0.436425 1.164118 -1.136904
O -3.780774 3.246335 2.064894
O -3.457729 1.069806 2.793932
O 0.979054 -0.321917 1.925544
O 2.956744 -1.528610 2.084972
C -1.839842 -2.006176 -0.114784
C -1.189439 -3.090379 0.784204
C -2.286635 -0.776674 0.711782
C -0.952330 -1.588757 -1.301912
C -0.928719 -4.434277 0.069098
C -3.213320 0.166022 -0.051837
C -3.263927 1.636780 0.373567
C 0.493947 0.368654 -0.849868
C 1.912664 0.790757 -0.599149
C -3.494723 1.891002 1.850386
C 2.755862 0.237487 0.405850
C 2.441657 1.751305 -1.495946
C 4.126120 0.597977 0.445871
C 3.801558 2.122989 -1.433760
C 4.651663 1.529754 -0.472782
C 2.277351 -0.649846 1.507298
H -2.749061 -2.438489 -0.584333
H -1.859908 -3.266002 1.649317
H -0.234668 -2.704222 1.191315
H -2.848474 -1.104930 1.610571
H -1.419344 -0.215606 1.103778
H -0.652265 -2.457213 -1.908468
H -1.463783 -0.841925 -1.932170
H -1.857029 -4.832305 -0.382616
H -0.549389 -5.189226 0.781183
H -0.174378 -4.335008 -0.732133
H -4.037178 2.163338 -0.211323
H -2.287958 2.084170 0.090132
H 1.778255 2.186996 -2.249578
H 4.759958 0.148694 1.216931
H 4.196311 2.862138 -2.138555
H 5.711179 1.801913 -0.429000
H -3.925447 3.398976 3.038781
H 0.712692 -0.926135 2.670508


