%chk=000198955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198955

0 1
O -1.693469 -1.302806 -0.801495
O -6.251818 0.854360 -0.001880
O 2.046466 1.143393 -2.694807
O 6.341721 -0.503668 1.696177
O -6.642908 -1.095329 -1.050155
C -0.846084 -0.518669 0.070691
C -1.484116 0.915738 0.072708
C 0.584101 -0.595223 -0.519522
C 1.522770 0.477666 0.080877
C -2.641956 0.813731 1.131972
C -0.457757 1.945437 0.611189
C -1.010267 -1.043000 1.513981
C 0.888836 1.865739 -0.106044
C 2.943375 0.385714 -0.558261
C -2.206840 -0.295789 2.126173
C 1.175242 -2.008394 -0.361064
C -1.967342 1.325139 -1.313495
C 3.442965 -1.033391 -0.316395
C 2.591599 -2.098992 -0.949575
C 3.904428 1.456881 0.017427
C -3.976323 0.508265 0.538931
C 2.947212 0.620183 -2.085250
C 4.554366 1.043949 1.334701
C 4.501336 -1.322816 0.451285
C -5.120145 1.502580 0.654440
C -4.410467 -0.581651 -0.116899
C 5.259899 -0.292895 1.196371
C -5.836393 -0.417185 -0.481084
H 0.473052 -0.377295 -1.618142
H 1.645529 0.281653 1.174960
H -2.714834 1.785167 1.679319
H -0.305949 1.797342 1.698318
H -0.873864 2.965640 0.499241
H -0.094464 -0.866631 2.103771
H -1.182871 -2.132241 1.521014
H 0.758090 2.080512 -1.191288
H 1.568136 2.654101 0.275048
H -3.038549 -0.994798 2.329539
H -1.936797 0.147068 3.099662
H 0.518949 -2.748429 -0.860184
H 1.209640 -2.297618 0.708187
H -1.123709 1.514226 -1.991433
H -2.562012 0.523506 -1.781736
H -2.581846 2.228667 -1.289052
H 2.562758 -1.985782 -2.052600
H 3.008538 -3.112167 -0.775648
H 3.352073 2.412011 0.158443
H 4.706725 1.684909 -0.715886
H -1.363610 -2.218007 -0.882519
H 3.868241 0.282348 -2.590582
H 3.802117 0.967853 2.146502
H 5.273825 1.818163 1.673758
H 4.861864 -2.342787 0.597096
H -5.441853 1.702240 1.689306
H -4.947484 2.444382 0.107875
H -3.844924 -1.461502 -0.398467


%chk=000198955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198955

0 1
O -1.693426 -1.527162 -0.654124
O -6.329464 1.253833 0.017681
O 1.975256 0.992372 -2.845588
O 6.291928 -0.455940 1.967096
O -6.980097 -0.697783 -1.116100
C -0.807951 -0.620279 0.133548
C -1.505484 0.782579 0.073077
C 0.622285 -0.650920 -0.488747
C 1.546816 0.484499 0.061332
C -2.708344 0.656035 1.119905
C -0.520060 1.853688 0.639400
C -0.920313 -1.027110 1.623435
C 0.858476 1.867020 -0.053507
C 2.973447 0.419585 -0.614031
C -2.350256 -0.583310 2.024078
C 1.283621 -2.045706 -0.326991
C -1.944338 1.173602 -1.354649
C 3.532945 -0.990810 -0.371788
C 2.701067 -2.100992 -0.973908
C 3.982275 1.505060 -0.104463
C -4.098077 0.562802 0.536405
C 2.948782 0.633422 -2.146943
C 4.596712 1.172835 1.270876
C 4.607119 -1.237286 0.442087
C -5.091833 1.702423 0.681321
C -4.702416 -0.445062 -0.156392
C 5.270918 -0.199140 1.261682
C -6.094509 -0.076474 -0.505291
H 0.478190 -0.468404 -1.571577
H 1.718497 0.284149 1.143229
H -2.684114 1.574025 1.742057
H -0.374952 1.692412 1.727210
H -0.996116 2.848705 0.533498
H -0.153867 -0.511668 2.230616
H -0.772263 -2.113017 1.769204
H 0.754973 2.145718 -1.115789
H 1.480230 2.644529 0.428949
H -3.063205 -1.398527 1.819911
H -2.426880 -0.338027 3.097864
H 0.659733 -2.829529 -0.801175
H 1.382425 -2.302144 0.746275
H -1.074887 1.297060 -2.023726
H -2.597312 0.405811 -1.794164
H -2.492452 2.134959 -1.341091
H 2.596849 -1.974791 -2.070924
H 3.166068 -3.085984 -0.792391
H 3.491925 2.493146 -0.080907
H 4.813100 1.586172 -0.835803
H -1.361484 -2.454608 -0.547588
H 3.954115 0.467690 -2.617807
H 3.814421 1.162506 2.057065
H 5.340160 1.932916 1.567509
H 4.979172 -2.261364 0.575733
H -5.324164 1.929173 1.739786
H -4.743942 2.629657 0.185553
H -4.254097 -1.390850 -0.455421


