%chk=000114747.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114747

0 1
O -0.717625 0.659791 0.875458
O 0.712831 0.659825 0.879469
O -5.037000 2.980012 0.199003
O 5.034219 2.981161 0.235002
O -5.499667 0.813850 0.514654
O 5.499839 0.812909 0.531342
C -1.273632 -0.089943 -0.273370
C 1.275329 -0.089917 -0.266190
C -0.709101 -1.498757 -0.149284
C 0.710132 -1.498747 -0.145304
C -0.665679 0.539648 -1.518526
C 0.674412 0.539648 -1.514756
C -2.779339 0.061972 -0.090662
C 2.779952 0.062002 -0.074844
C -1.413894 -2.688475 -0.033731
C 1.414287 -2.688455 -0.025833
C -3.200708 1.529860 -0.005206
C 3.200913 1.529873 0.012727
C -0.697501 -3.892102 0.081667
C 0.697278 -3.892093 0.085555
C -4.667683 1.653412 0.266880
C 4.667002 1.653390 0.289579
H -1.308435 0.941658 -2.285652
H 1.321475 0.941605 -2.278281
H -3.308825 -0.449358 -0.922038
H -3.097068 -0.467406 0.837756
H 3.092246 -0.467222 0.855461
H 3.314292 -0.449523 -0.903028
H -2.502177 -2.703258 -0.030416
H 2.502537 -2.703225 -0.016468
H -2.623467 2.050412 0.800659
H -2.936216 2.088539 -0.930025
H 2.939744 2.088852 -0.912870
H 2.620721 2.050164 0.816588
H -1.241827 -4.831877 0.170807
H 1.241111 -4.831862 0.177717
H -6.003273 3.120440 0.386875
H 5.999896 3.121399 0.426084


%chk=000114747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114747

0 1
O -0.769475 0.706702 1.012695
O 0.763633 0.706809 1.017166
O -5.298612 2.886086 0.144184
O 5.297056 2.886790 0.177564
O -5.609116 0.593995 0.339870
O 5.608785 0.593913 0.361911
C -1.299770 -0.041688 -0.248463
C 1.301345 -0.041661 -0.240769
C -0.710589 -1.443636 -0.137568
C 0.711560 -1.443607 -0.133357
C -0.674772 0.683732 -1.428272
C 0.683334 0.683738 -1.424287
C -2.822153 0.058539 -0.108666
C 2.822871 0.058615 -0.091984
C -1.422229 -2.648843 0.000419
C 1.422432 -2.648785 0.008782
C -3.335368 1.508821 -0.026994
C 3.335507 1.508906 -0.007350
C -0.706528 -3.866022 0.120271
C 0.706097 -3.865997 0.124414
C -4.835633 1.562299 0.169763
C 4.835069 1.562530 0.194635
H -1.291232 1.201777 -2.168718
H 1.304109 1.201788 -2.161123
H -3.285564 -0.458494 -0.970561
H -3.142692 -0.486319 0.796351
H 3.137994 -0.486258 0.814938
H 3.291488 -0.458384 -0.951073
H -2.516950 -2.657912 0.009565
H 2.517083 -2.657805 0.024287
H -2.850004 2.041697 0.811734
H -3.089649 2.096581 -0.931067
H 3.093057 2.096986 -0.912131
H 2.846913 2.041464 0.829646
H -1.252543 -4.811445 0.210353
H 1.251611 -4.811401 0.217671
H -6.283132 2.892003 0.293452
H 6.281165 2.892687 0.329511


