%chk=000081238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000081238

0 1
O -3.790003 0.588546 -0.555715
O -1.943890 -1.597869 0.556287
O 4.950919 -0.432820 0.422494
O -3.032654 2.380910 0.603294
O -1.152590 -1.239747 -1.536926
C 0.983574 0.790396 0.307033
C -0.390483 1.287616 0.342954
C -1.505852 0.615357 -0.009369
C 1.476840 0.035831 -0.769620
C 1.847373 1.118456 1.378526
C 3.633194 -0.075569 0.289757
C 2.803292 -0.399185 -0.791181
C 3.162985 0.684989 1.385608
C -2.811883 1.313140 0.074564
C -1.502813 -0.798556 -0.466149
C -5.143025 1.152014 -0.591001
C -2.014916 -3.041108 0.314915
C -5.219339 2.233273 -1.647205
C -0.629450 -3.644720 0.409475
C 5.556810 -1.211533 -0.639758
H -0.498053 2.325241 0.710994
H 0.818908 -0.211366 -1.613021
H 1.469682 1.710190 2.214949
H 3.166101 -0.976003 -1.636030
H 3.840256 0.915616 2.205556
H -5.728743 0.248938 -0.843689
H -5.396093 1.520134 0.419007
H -2.489922 -3.210648 -0.667522
H -2.685284 -3.351359 1.137391
H -4.812007 1.887775 -2.606920
H -4.639729 3.120838 -1.350798
H -6.252709 2.556073 -1.818537
H -0.118125 -3.334192 1.330345
H 0.001071 -3.324658 -0.433570
H -0.666623 -4.739901 0.398919
H 6.581128 -1.339928 -0.264816
H 5.051449 -2.176401 -0.738994
H 5.550003 -0.646266 -1.576145


%chk=000081238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081238

0 1
O -3.786421 0.549157 -0.471853
O -2.245471 -1.760920 0.274141
O 5.324422 0.112952 0.361653
O -2.860285 2.258399 0.823036
O -0.985921 -1.359163 -1.643372
C 1.128021 0.771926 0.252439
C -0.290164 1.119741 0.316158
C -1.444696 0.451107 -0.033568
C 1.693181 -0.288755 -0.517265
C 2.026743 1.591675 1.009842
C 3.939782 0.273340 0.277515
C 3.078208 -0.538084 -0.507050
C 3.404831 1.347863 1.035796
C -2.727981 1.183331 0.182120
C -1.516639 -0.941336 -0.582309
C -5.124019 1.204709 -0.359397
C -2.459756 -3.173624 -0.170261
C -5.290651 2.287355 -1.429992
C -1.301446 -4.065670 0.285563
C 5.937827 -0.977319 -0.406061
H -0.495264 2.102957 0.769043
H 1.049733 -0.894001 -1.160588
H 1.619991 2.424509 1.595979
H 3.477020 -1.350368 -1.121976
H 4.087330 1.969103 1.622838
H -5.831695 0.371730 -0.498675
H -5.223918 1.626221 0.656274
H -2.568922 -3.183145 -1.268861
H -3.410744 -3.452077 0.311291
H -5.122816 1.871825 -2.438587
H -4.582392 3.115318 -1.260807
H -6.317483 2.696427 -1.389899
H -1.155894 -3.993148 1.377100
H -0.363891 -3.779435 -0.219637
H -1.521951 -5.120164 0.034972
H 7.012307 -0.914313 -0.181854
H 5.545035 -1.961356 -0.086421
H 5.773388 -0.843264 -1.492227


