%chk=000183914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183914

0 1
O -2.276666 -1.148715 -0.533098
O 0.663182 -0.422339 -0.592461
O -0.501664 -1.947580 -2.599847
O 0.628104 2.054324 -2.064178
O 2.602969 -0.612998 1.532144
O -2.997287 -1.250582 1.689415
O 3.558131 -1.887025 3.213748
C -0.757897 -2.843793 -1.458447
C -1.137905 -2.038745 -0.175821
C -0.016820 -1.223190 0.474380
C 0.499640 -3.705173 -1.177641
C -1.940621 -3.724962 -1.900427
C 1.519977 0.612698 -0.235013
C 1.496182 1.799297 -0.993333
C 2.505981 0.571017 0.787988
C 2.365915 2.914601 -0.781161
C 3.386152 1.679459 1.044801
C 3.315542 2.857537 0.257096
C -3.168590 -0.827050 0.512456
C 1.995069 3.901555 -1.786912
C 4.347541 1.522888 2.118585
C 0.969209 3.355808 -2.524942
C -4.239748 0.030210 -0.026359
C 4.435921 0.368198 2.861718
C 3.571060 -0.783566 2.616536
C -5.294671 0.554613 0.676860
C -6.312272 1.425173 -0.034833
C -5.548363 0.329499 2.152150
H -1.487099 -2.741600 0.606607
H 0.725086 -1.882017 0.952227
H -0.434495 -0.535999 1.231018
H 0.356329 -4.385455 -0.316544
H 1.384877 -3.074005 -0.986133
H 0.709826 -4.316611 -2.071626
H -1.686860 -4.204794 -2.860768
H -2.156364 -4.512144 -1.155007
H -2.839752 -3.105766 -2.049890
H 0.010972 -1.163280 -2.264211
H 3.995338 3.690647 0.460718
H 2.439671 4.883169 -1.936280
H 5.022580 2.359889 2.332860
H 0.380146 3.705115 -3.368379
H -4.141945 0.243096 -1.096490
H 5.160897 0.250954 3.670768
H -7.333425 1.017196 0.098103
H -6.108813 1.512590 -1.114963
H -6.323182 2.443183 0.402243
H -4.722096 -0.206558 2.639482
H -6.477561 -0.260263 2.286093
H -5.718004 1.298191 2.661270


%chk=000183914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183914

0 1
O -2.179623 -1.122240 -0.527550
O 0.809430 -0.588394 -0.663493
O -0.565089 -1.824033 -2.753194
O 0.978903 1.660593 -2.417324
O 2.352137 -0.428817 1.786958
O -2.875353 -1.485366 1.675936
O 3.035158 -1.423587 3.750512
C -0.811648 -2.806476 -1.684012
C -1.085497 -2.109092 -0.313558
C 0.105871 -1.420740 0.360380
C 0.409465 -3.751679 -1.550645
C -2.061493 -3.581948 -2.139216
C 1.566251 0.512097 -0.287103
C 1.646074 1.593381 -1.185906
C 2.350803 0.649580 0.889729
C 2.421858 2.773697 -0.972675
C 3.131364 1.830180 1.149699
C 3.167141 2.898366 0.216300
C -3.039911 -0.898783 0.570979
C 2.205198 3.604924 -2.150157
C 3.882896 1.861495 2.389093
C 1.350954 2.913148 -2.979069
C -4.070332 0.077610 0.174063
C 3.872506 0.812947 3.280195
C 3.111019 -0.408695 3.035046
C -5.087121 0.554382 0.962466
C -6.067778 1.561993 0.394051
C -5.330700 0.148970 2.400366
H -1.444597 -2.864434 0.413607
H 0.818438 -2.160380 0.758918
H -0.242298 -0.779073 1.186906
H 0.271578 -4.502814 -0.749395
H 1.335324 -3.184336 -1.351401
H 0.542326 -4.285736 -2.506854
H -1.881559 -3.985484 -3.149979
H -2.287369 -4.420522 -1.455359
H -2.929942 -2.905246 -2.187354
H 0.017710 -1.105817 -2.386597
H 3.769491 3.787182 0.427754
H 2.633700 4.585258 -2.347404
H 4.477087 2.756239 2.609345
H 0.912908 3.120268 -3.951487
H -3.976133 0.427460 -0.859777
H 4.439198 0.837039 4.214087
H -7.103938 1.176485 0.463043
H -5.856157 1.806556 -0.660032
H -6.043769 2.500067 0.982903
H -4.564194 -0.544127 2.773690
H -6.324478 -0.333424 2.491088
H -5.361609 1.048023 3.046929


