%chk=000188013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188013

0 1
O -2.513879 1.999112 0.171046
O 0.026246 2.407479 0.237217
O 2.568817 1.409973 0.146443
O 4.107779 -0.554660 -0.198109
O -2.763344 2.130242 -2.093441
O 0.200959 2.346214 2.517092
O 2.504607 1.945966 -2.077152
O 5.566889 -1.917648 0.916904
C -0.725357 -1.262452 0.021191
C 0.627397 -1.773555 -0.078281
C -0.954128 0.165821 0.096854
C -1.815098 -2.151423 0.023342
C 1.757285 -0.888420 -0.077063
C 0.836409 -3.173043 -0.175234
C -3.167853 -1.649763 0.110002
C -2.256629 0.621884 0.113269
C -3.393657 -0.251708 0.146752
C 0.217974 1.024775 0.138133
C 1.486384 0.533877 0.037618
C -1.564213 -3.568347 -0.071011
C -0.299764 -4.058751 -0.167633
C 3.035133 -1.451171 -0.161033
C 2.154044 -3.687961 -0.275791
C -4.302477 -2.518115 0.152782
C 3.244416 -2.842611 -0.269007
C -4.726224 0.254504 0.225617
C -5.578266 -2.012020 0.226902
C -5.795565 -0.606824 0.264445
C -2.725099 2.690321 -1.035168
C 0.064678 2.989732 1.515614
C 2.982410 2.117060 -0.991730
C 5.350087 -0.873817 0.364144
C -2.899694 4.127235 -0.692862
C -0.073999 4.460789 1.329091
C 4.067772 3.038693 -0.551989
C 6.259814 0.277856 0.127707
H -2.423891 -4.242814 -0.065912
H -0.115560 -5.130802 -0.241213
H 2.300399 -4.766570 -0.355595
H -4.137870 -3.597047 0.125652
H 4.261113 -3.238913 -0.325779
H -4.867539 1.335124 0.261043
H -6.439959 -2.678354 0.258407
H -6.815761 -0.231044 0.324451
H -1.914626 4.595807 -0.493505
H -3.372096 4.673663 -1.524096
H -3.511967 4.269002 0.211295
H 0.914818 4.944056 1.295255
H -0.632388 4.906178 2.167765
H -0.597014 4.715103 0.387179
H 5.042510 2.511936 -0.554577
H 4.147349 3.901595 -1.230237
H 3.909202 3.409813 0.472942
H 7.044424 0.009094 -0.599053
H 6.765845 0.568142 1.063569
H 5.730859 1.168286 -0.265152


%chk=000188013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188013

0 1
O -2.523888 2.044708 0.057104
O 0.132300 2.411713 0.330397
O 2.604421 1.395138 0.234644
O 4.171848 -0.637177 -0.564666
O -2.358472 2.011052 -2.286792
O -0.170023 2.073343 2.634398
O 2.449298 2.267461 -1.940593
O 5.525112 -1.654995 1.070136
C -0.716723 -1.283507 0.049078
C 0.624356 -1.804151 -0.078722
C -0.932904 0.158355 0.091015
C -1.837456 -2.180991 0.106819
C 1.771857 -0.920134 -0.142224
C 0.828124 -3.229675 -0.154023
C -3.186369 -1.653498 0.216559
C -2.253836 0.640063 0.109763
C -3.389209 -0.222907 0.197056
C 0.243061 1.002277 0.133204
C 1.523597 0.497022 0.024027
C -1.589776 -3.598136 0.044372
C -0.308952 -4.104272 -0.082468
C 3.055647 -1.496174 -0.335786
C 2.143172 -3.749997 -0.314671
C -4.344552 -2.490430 0.321180
C 3.243708 -2.894402 -0.416659
C -4.718403 0.311464 0.268376
C -5.631122 -1.950443 0.394753
C -5.821355 -0.535187 0.366224
C -2.529766 2.654568 -1.240982
C -0.088129 2.853862 1.673853
C 2.953047 2.303551 -0.808163
C 5.379670 -0.812907 0.165593
C -2.759178 4.140057 -1.106121
C -0.208154 4.358145 1.705976
C 3.981836 3.280017 -0.289170
C 6.415257 0.176366 -0.318801
H -2.429557 -4.295465 0.086420
H -0.142071 -5.185725 -0.136734
H 2.285178 -4.834253 -0.372844
H -4.232399 -3.577482 0.348002
H 4.250627 -3.293065 -0.558142
H -4.847883 1.396725 0.262859
H -6.498170 -2.614674 0.476468
H -6.832599 -0.119367 0.426878
H -1.785874 4.631925 -0.928566
H -3.180316 4.534792 -2.042752
H -3.423565 4.367130 -0.257389
H 0.167682 4.736348 2.669159
H -1.276200 4.630947 1.627153
H 0.334811 4.822490 0.868459
H 4.721608 2.770312 0.347621
H 4.475789 3.784932 -1.132069
H 3.477640 4.039228 0.336627
H 7.383420 -0.337477 -0.437285
H 6.553091 0.960823 0.447487
H 6.112445 0.643177 -1.266937


