%chk=000195751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195751

0 1
O 2.115441 0.517401 1.313259
O -3.966952 1.367829 0.474052
O -1.460985 -0.863034 -1.620124
O 1.955391 -1.066787 -1.884782
O 2.643905 -2.165755 1.566491
O 2.273989 2.624390 -0.138219
O -4.866570 1.768873 -1.564079
C 2.818169 -0.187206 0.226944
C 0.447614 -0.192168 -0.182941
C -3.359865 0.103883 0.000584
C 1.696928 -0.570345 -0.820279
C -1.904049 0.213262 0.369843
C 0.755606 0.438247 1.061849
C -4.075541 -1.024265 0.742722
C 3.843276 0.740378 -0.354178
C -0.911157 -0.299701 -0.520675
C -5.567684 -1.147194 0.365012
C 3.373363 -1.486751 0.886419
C -1.524979 0.819034 1.567336
C -0.178096 0.947168 1.946140
C 5.123607 0.351602 -0.499799
C 3.394318 2.095545 -0.843655
C 4.773252 -1.809153 0.598582
C 5.599287 -0.964245 -0.052732
C -5.755565 -1.413631 -1.131581
C -6.220238 -2.256970 1.200155
C 7.022504 -1.296012 -0.341373
C -4.690679 2.119272 -0.420016
C -0.621786 -1.414319 -2.671818
C -5.176779 3.351137 0.262403
H -3.501632 0.038801 -1.107921
H -3.987251 -0.867417 1.835739
H -3.548894 -1.976612 0.530828
H -6.066587 -0.176549 0.614800
H -2.306655 1.213990 2.226993
H 0.111467 1.411233 2.882449
H 5.868170 1.007737 -0.956047
H 3.021294 2.032038 -1.891119
H 4.214148 2.840793 -0.797252
H 5.099840 -2.783003 0.968549
H -6.808462 -1.585839 -1.377366
H -5.424322 -0.552753 -1.733122
H -5.192597 -2.289721 -1.466807
H -5.775112 -3.235708 0.990860
H -6.116510 -2.069263 2.273624
H -7.291111 -2.335383 0.983163
H 7.223925 -1.284731 -1.424389
H 7.312605 -2.292203 0.024415
H 7.709709 -0.572790 0.123937
H -0.029424 -2.248472 -2.281254
H 0.021815 -0.633611 -3.091142
H -1.374181 -1.751611 -3.395425
H 2.410449 2.549324 0.837985
H -4.703731 4.245831 -0.173031
H -4.957515 3.349187 1.341331
H -6.264465 3.464146 0.134661


%chk=000195751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195751

0 1
O 2.163352 0.772981 1.261292
O -4.145812 1.459228 0.667473
O -1.483851 -0.766503 -1.600213
O 1.910749 -0.562857 -2.095150
O 2.341677 -2.023966 1.408498
O 2.649185 2.975976 -0.386727
O -5.097473 2.082394 -1.379980
C 2.834616 0.021585 0.153298
C 0.430199 0.045889 -0.182621
C -3.407133 0.320750 0.024760
C 1.678206 -0.227904 -0.904550
C -1.930234 0.486942 0.357518
C 0.776074 0.686890 1.042436
C -3.986636 -0.996377 0.585928
C 3.975311 0.828479 -0.423159
C -0.956853 -0.097370 -0.504972
C -5.462678 -1.287380 0.209560
C 3.216365 -1.382021 0.753444
C -1.515316 1.135988 1.543968
C -0.156791 1.236132 1.923622
C 5.222514 0.272465 -0.513201
C 3.688537 2.183762 -1.047735
C 4.571480 -1.870150 0.532458
C 5.540804 -1.088615 -0.063284
C -5.656363 -1.460458 -1.316445
C -5.952180 -2.542618 0.971027
C 6.956824 -1.578768 -0.257295
C -4.941731 2.271362 -0.153604
C -0.741811 -1.870407 -2.248597
C -5.556320 3.387653 0.664165
H -3.564986 0.384754 -1.064792
H -3.876889 -0.978786 1.688689
H -3.347107 -1.820503 0.210752
H -6.077795 -0.425214 0.542096
H -2.290686 1.565799 2.184862
H 0.154369 1.720624 2.851592
H 6.034734 0.855045 -0.968184
H 3.310971 2.035603 -2.078113
H 4.637390 2.757056 -1.114750
H 4.796057 -2.870541 0.917389
H -6.705486 -1.724415 -1.546336
H -5.418497 -0.535215 -1.869532
H -5.011005 -2.273921 -1.701777
H -5.365340 -3.434343 0.675984
H -5.851571 -2.418482 2.065789
H -7.014843 -2.751571 0.747709
H 7.227353 -1.569701 -1.330994
H 7.095306 -2.602797 0.124832
H 7.677156 -0.913323 0.256727
H -0.382038 -2.582685 -1.482978
H 0.111419 -1.483517 -2.825983
H -1.484926 -2.352474 -2.900690
H 2.678467 2.801638 0.589014
H -4.766721 4.086918 0.992368
H -6.037749 2.982982 1.570090
H -6.291593 3.931888 0.054317


