%chk=000195046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195046

0 1
O -1.990945 -2.976466 1.276168
O 1.920437 2.207780 2.151151
O 4.140975 1.741432 -1.147149
O 7.034514 -1.455009 -1.468956
O 5.735696 -0.136308 -2.730122
C -2.709794 0.558003 0.047696
C -1.370886 -0.037549 0.559763
C -1.532661 -0.685854 1.956001
C -3.893057 -0.344937 0.330510
C -2.605526 0.845678 -1.465821
C -0.261529 1.031145 0.556367
C -5.088640 0.398099 -1.796310
C -5.198677 0.076342 -0.291147
C -2.592026 -1.814553 1.884899
C -3.921423 1.373657 -2.042352
C -3.829607 -1.411376 1.140153
C -1.909637 0.310112 3.053467
C 1.137493 0.417582 0.685937
C -4.948493 -0.882847 -2.624994
C 2.191780 1.506531 0.928760
C 3.624605 0.941657 1.005709
C 4.145777 0.534644 -0.373342
C 5.586460 -0.020351 -0.289314
C 6.070293 -0.490313 -1.621005
H -2.899363 1.522907 0.584708
H -1.070487 -0.856022 -0.143208
H -0.555605 -1.162560 2.225398
H -2.308770 -0.076659 -2.002319
H -1.793893 1.577958 -1.647474
H -0.425243 1.756388 1.382771
H -0.317013 1.631338 -0.374447
H -6.035930 0.907571 -2.106682
H -5.977115 -0.697777 -0.137922
H -5.566544 0.973853 0.249747
H -2.833676 -2.196146 2.904898
H -4.162460 2.356032 -1.592903
H -3.806418 1.558087 -3.127063
H -4.687642 -2.056787 1.313397
H -2.926878 0.696596 2.918077
H -1.862317 -0.150394 4.045996
H -1.230990 1.173103 3.056241
H 1.151643 -0.323011 1.510084
H 1.387704 -0.151354 -0.230010
H -5.829744 -1.524661 -2.520740
H -4.825527 -0.660806 -3.689922
H -4.079994 -1.472237 -2.307802
H 2.138637 2.326937 0.171148
H -1.970531 -2.885318 0.304782
H 4.272136 1.741102 1.430992
H 3.680576 0.093616 1.709744
H 3.476062 -0.204017 -0.871698
H 1.803821 1.591844 2.898030
H 5.662465 -0.829844 0.468124
H 6.270378 0.781616 0.079448
H 4.445898 1.559126 -2.072098
H 7.397790 -1.779384 -2.338969


%chk=000195046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195046

0 1
O -1.959995 -3.109666 0.939621
O 1.924067 2.499845 2.045113
O 3.989455 1.381655 -1.406709
O 7.383349 -1.337774 -1.172556
O 5.731945 -0.514633 -2.569752
C -2.719164 0.561405 0.021934
C -1.355638 -0.043725 0.481857
C -1.488742 -0.808792 1.832574
C -3.921704 -0.329979 0.337007
C -2.707761 0.889234 -1.505655
C -0.242776 1.038672 0.504133
C -5.239625 0.473724 -1.717602
C -5.261360 0.160592 -0.191902
C -2.528148 -1.948752 1.694321
C -4.060390 1.438203 -2.012547
C -3.819762 -1.476113 1.069362
C -1.832597 0.102526 3.035460
C 1.179987 0.498944 0.770092
C -5.179358 -0.818015 -2.565868
C 2.223997 1.629169 0.879915
C 3.685027 1.135440 0.975580
C 4.194159 0.441179 -0.298391
C 5.690026 0.058542 -0.163466
C 6.227699 -0.599896 -1.416674
H -2.874970 1.528427 0.555150
H -1.064529 -0.803653 -0.280604
H -0.524619 -1.311213 2.044174
H -2.442098 -0.031712 -2.063226
H -1.912639 1.627403 -1.720034
H -0.480412 1.810947 1.260929
H -0.224256 1.562387 -0.471717
H -6.184912 0.998113 -1.968562
H -6.055265 -0.575453 0.038201
H -5.525846 1.098539 0.343289
H -2.720746 -2.385884 2.691471
H -4.261062 2.411970 -1.518756
H -3.998970 1.638967 -3.100390
H -4.710968 -2.096298 1.237008
H -2.801889 0.615419 2.898656
H -1.900535 -0.493453 3.965130
H -1.060117 0.876497 3.193298
H 1.207382 -0.097578 1.706955
H 1.464978 -0.188652 -0.051406
H -6.072655 -1.445517 -2.388123
H -5.139879 -0.580735 -3.645423
H -4.292796 -1.429591 -2.318132
H 2.138143 2.311386 0.018459
H -2.106983 -2.938908 -0.025699
H 4.319666 2.018800 1.180647
H 3.789187 0.436066 1.832621
H 3.612375 -0.489894 -0.482139
H 1.970931 1.941387 2.864731
H 5.863094 -0.611147 0.697874
H 6.283738 0.977573 0.015142
H 4.330660 0.939656 -2.232738
H 7.719394 -1.727438 -2.026233


