%chk=000193726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193726

0 1
O -0.168817 -2.160956 -1.178230
O 4.479577 -1.721375 -0.014377
O 6.470166 -1.056956 1.258102
O -6.258535 -0.369497 1.352939
C 2.012348 -0.042632 -0.191212
C 1.105621 1.166880 0.198056
C -0.297790 1.032035 -0.408065
C -0.956691 -0.236622 0.197763
C 3.375671 0.417132 0.424741
C 1.411221 -1.300229 0.454779
C -2.411152 -0.444295 -0.337796
C -0.074724 -1.513706 0.095276
C 1.964096 2.394250 -0.149813
C 3.414349 1.946938 0.156643
C -1.144021 2.272239 -0.068657
C 2.151350 -0.234328 -1.708524
C -3.217783 0.836289 -0.102195
C -2.585730 2.122787 -0.557597
C 4.618125 -0.298796 -0.123000
C -3.040233 -1.633682 0.440347
C -2.465508 -0.724747 -1.848446
C -4.560886 -1.695979 0.325338
C -4.460571 0.835041 0.405649
C 5.910778 0.103605 0.635624
C -5.195583 -0.392886 0.767952
H 0.984696 1.162791 1.313596
H -0.234480 0.928058 -1.515642
H -1.058592 -0.043047 1.300625
H 3.333149 0.242671 1.526305
H 1.519446 -1.260646 1.553327
H 1.986656 -2.194830 0.130775
H -0.498807 -2.306628 0.761648
H 1.678292 3.275937 0.444370
H 1.851224 2.680944 -1.208291
H 4.078669 2.191780 -0.688013
H 3.814341 2.483092 1.032290
H -0.689686 3.173737 -0.522303
H -1.139785 2.451109 1.024866
H 2.569911 0.650906 -2.197043
H 2.809109 -1.087283 -1.930815
H 1.181382 -0.437599 -2.186972
H -2.619446 2.153469 -1.669021
H -3.180549 2.999398 -0.226068
H 4.734912 -0.158757 -1.221382
H -2.765928 -1.568522 1.511910
H -2.603326 -2.582981 0.066785
H -1.895778 0.010176 -2.423784
H -2.045570 -1.718325 -2.073231
H -3.495832 -0.717973 -2.220172
H 0.252510 -1.609274 -1.882632
H -4.964114 -2.536715 0.925514
H -4.872817 -1.907876 -0.718116
H -5.021763 1.754741 0.577665
H 6.659577 0.556171 -0.035796
H 5.732047 0.782365 1.489045
H 4.443264 -1.988419 0.936729
H 6.618812 -1.760280 0.577535


%chk=000193726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193726

0 1
O -0.153345 -2.213841 -1.462798
O 4.704415 -1.802227 0.372170
O 5.828063 -0.017381 2.164224
O -6.231731 -0.449557 1.671278
C 2.088719 -0.096615 -0.328799
C 1.178042 1.115501 0.053077
C -0.267168 1.027521 -0.479496
C -0.926996 -0.285171 0.053277
C 3.429144 0.365787 0.355559
C 1.433454 -1.367788 0.272057
C -2.446446 -0.458509 -0.366711
C -0.056359 -1.571299 -0.130407
C 2.038283 2.353952 -0.297380
C 3.500795 1.899786 0.028248
C -1.088008 2.249777 0.001412
C 2.295454 -0.212916 -1.866862
C -3.198544 0.815426 0.061623
C -2.587744 2.138959 -0.359435
C 4.728079 -0.371042 -0.024376
C -3.022544 -1.702276 0.378189
C -2.654559 -0.624325 -1.909125
C -4.563726 -1.743448 0.423694
C -4.394797 0.780010 0.732240
C 5.969111 0.160806 0.717248
C -5.142536 -0.461375 1.019002
H 1.095586 1.085801 1.164891
H -0.258911 1.033909 -1.590444
H -0.954542 -0.152721 1.161543
H 3.305055 0.249975 1.452362
H 1.496606 -1.306239 1.378034
H 1.948371 -2.302597 -0.033107
H -0.469775 -2.358579 0.522644
H 1.745654 3.246903 0.281773
H 1.930768 2.612890 -1.368599
H 4.172641 2.089622 -0.831826
H 3.919500 2.453187 0.886127
H -0.673229 3.178896 -0.433079
H -0.983314 2.333404 1.103240
H 2.950935 0.589580 -2.249311
H 2.757579 -1.179093 -2.141335
H 1.347193 -0.121463 -2.430210
H -2.690383 2.237110 -1.461333
H -3.155131 2.977364 0.084116
H 4.906649 -0.288065 -1.118903
H -2.646849 -1.694836 1.422446
H -2.640242 -2.621631 -0.101254
H -2.168397 0.183576 -2.485314
H -2.239377 -1.587977 -2.241928
H -3.731891 -0.593083 -2.153924
H 0.202970 -1.600764 -2.152456
H -4.928636 -2.604115 1.011470
H -4.980237 -1.858898 -0.598149
H -4.886149 1.711959 1.041990
H 6.862681 -0.377927 0.339406
H 6.103115 1.241154 0.551289
H 3.849859 -2.215171 0.096453
H 5.589648 -0.973224 2.294487


