%chk=000193311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193311

0 1
O 1.770846 1.669895 -1.050210
O -4.735050 -0.005005 -0.947751
O 4.238679 -0.112659 1.825221
O 3.983659 1.362158 -1.322130
O -0.565975 -3.517008 0.590783
O 0.046947 -2.994637 -1.497981
C -1.215784 -0.347783 0.034211
C 0.752030 1.025349 -0.208664
C -0.683085 0.943908 -0.721520
C 1.172990 -0.480670 -0.392837
C 0.041349 -1.266447 0.266107
C 2.664018 -0.370539 -0.049576
C -2.398953 -0.835154 -0.826432
C -3.430611 0.279787 -0.462238
C -1.905340 -0.054405 1.401924
C -1.661137 2.109468 -0.600054
C 0.925467 1.613391 1.196597
C -3.054889 1.647458 -1.072846
C 2.861961 -0.058060 1.460005
C -3.321022 0.337571 1.064973
C 2.292908 1.326033 1.823419
C 2.965442 0.930933 -0.870372
C -0.131676 -2.623890 -0.363809
C 3.507232 -1.537174 -0.515293
C -4.289151 0.662973 1.911106
H -0.621630 0.707413 -1.821199
H 1.130697 -0.743155 -1.493893
H 0.223166 -1.399810 1.362067
H -2.763449 -1.833362 -0.541641
H -2.186906 -0.883305 -1.904628
H -1.377542 0.736283 1.972539
H -1.900197 -0.957105 2.043365
H -1.314813 2.961461 -1.217634
H -1.716217 2.492000 0.435876
H 0.116031 1.247064 1.866570
H 0.780319 2.713239 1.127388
H -3.825917 2.392500 -0.796667
H -3.095596 1.574649 -2.176758
H 2.421974 -0.871903 2.080946
H 3.016312 2.112593 1.519801
H 2.232638 1.416455 2.926132
H 3.464572 -1.678871 -1.603254
H 4.566534 -1.399722 -0.245419
H 3.182757 -2.476644 -0.049020
H -5.107635 -0.802081 -0.520103
H -5.285018 0.935080 1.584908
H -4.167332 0.690769 2.983238
H 4.779138 0.516429 1.297115
H -0.698042 -4.435471 0.230443


%chk=000193311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193311

0 1
O 1.793667 1.727920 -0.996091
O -4.766160 0.009880 -1.152508
O 4.485915 -0.079427 1.663814
O 4.057045 1.300978 -1.402625
O -0.711620 -3.476393 0.776623
O 0.158134 -3.020679 -1.327675
C -1.242726 -0.317750 0.101788
C 0.772607 1.040807 -0.111999
C -0.677784 0.997796 -0.603068
C 1.171902 -0.437003 -0.316185
C 0.055013 -1.232275 0.382213
C 2.698503 -0.376982 -0.088672
C -2.380103 -0.816391 -0.835595
C -3.463234 0.280935 -0.549590
C -2.051507 -0.078714 1.429410
C -1.680425 2.155659 -0.492256
C 1.004468 1.556840 1.324869
C -3.029629 1.670798 -1.098759
C 3.045241 -0.022740 1.404069
C -3.459948 0.307668 0.984411
C 2.469288 1.362579 1.795901
C 2.978888 0.927250 -0.914230
C -0.120596 -2.628141 -0.173914
C 3.501053 -1.576965 -0.610372
C -4.531308 0.589831 1.759703
H -0.600886 0.757548 -1.684260
H 1.047928 -0.655635 -1.397961
H 0.190556 -1.316152 1.474652
H -2.769553 -1.807009 -0.523106
H -2.094735 -0.865949 -1.899240
H -1.604146 0.678659 2.096323
H -2.074872 -1.032823 1.992401
H -1.317827 3.038248 -1.050449
H -1.827111 2.473164 0.556939
H 0.323841 1.026547 2.012863
H 0.734767 2.627909 1.371557
H -3.838495 2.388589 -0.875275
H -2.946000 1.591794 -2.199854
H 2.633316 -0.820217 2.049773
H 3.108880 2.145140 1.342410
H 2.543968 1.491198 2.890092
H 3.121567 -1.900328 -1.595636
H 4.569098 -1.325746 -0.710319
H 3.419048 -2.427656 0.089539
H -5.139282 -0.811588 -0.739944
H -5.495635 0.848021 1.306818
H -4.477496 0.578609 2.854244
H 4.947806 0.549715 1.048602
H -0.846723 -4.377518 0.373373


