%chk=000181193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181193

0 1
O -1.924807 0.555452 -0.229094
O 1.933147 3.314266 0.362482
O 2.150050 -0.932902 -1.937881
O -0.387550 4.053925 1.266224
O -2.985985 -2.628327 -0.991653
O 5.071170 -0.853488 -1.693935
C -2.697355 1.395148 0.710772
C -0.604656 0.829523 -0.396214
C -0.005588 2.021560 0.082302
C -2.317965 2.858959 0.555547
C 0.113550 -0.155491 -1.100354
C 2.161225 1.207737 -0.794204
C -0.816089 3.072414 0.704980
C 1.384157 2.168577 -0.118655
C 1.496694 0.056270 -1.273048
C -0.562922 -1.384703 -1.633561
C -4.142968 1.101007 0.381903
C 3.634562 1.406216 -0.978096
C -0.649120 -2.486332 -0.613003
C 4.441067 0.633485 0.030540
C -5.154139 1.815764 1.042577
C -4.483027 0.108350 -0.546364
C -1.885798 -3.092371 -0.296825
C 0.486301 -2.961205 0.049254
C 5.177436 -0.505717 -0.355256
C 4.488555 1.003070 1.378802
C -6.495579 1.546602 0.760738
C -5.827068 -0.152888 -0.827942
C -6.834438 0.565457 -0.177471
C -2.001231 -4.116608 0.650417
C 0.393969 -3.987252 0.999270
C 5.957185 -1.244488 0.539248
C 5.258836 0.276209 2.294908
C -0.843709 -4.558353 1.299860
C 5.991831 -0.837658 1.877022
H -2.429223 0.999508 1.720441
H -2.859961 3.491307 1.288602
H -2.629128 3.246213 -0.439664
H -0.013921 -1.758691 -2.528364
H -1.583939 -1.117110 -1.995179
H 3.890004 2.491231 -0.905939
H 3.933737 1.123835 -2.015342
H -4.900826 2.579852 1.775536
H -3.691944 -0.467577 -1.045344
H 2.907914 3.391549 0.127205
H 3.146530 -0.767897 -2.012865
H 1.457780 -2.518579 -0.183441
H 3.908783 1.861063 1.724294
H -7.278760 2.103507 1.272550
H -6.087096 -0.915946 -1.559572
H -7.880481 0.362291 -0.398988
H -2.964244 -4.559646 0.878405
H 1.291751 -4.335406 1.503566
H 6.519436 -2.112839 0.210505
H 5.281180 0.581276 3.340118
H -0.914018 -5.352786 2.041235
H 6.591797 -1.397453 2.594577
H -3.818910 -3.059198 -0.682701
H 5.588200 -1.669214 -1.905123


%chk=000181193-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181193

0 1
O -1.855081 0.457904 -0.450269
O 2.044060 3.303943 0.343372
O 2.370838 -0.984611 -2.034007
O -0.432008 4.053049 1.153122
O -3.035905 -2.572477 -1.664644
O 4.985267 -1.135576 -1.450750
C -2.616990 1.200415 0.584836
C -0.492763 0.758013 -0.555314
C 0.073656 1.960866 -0.014360
C -2.317209 2.702221 0.435582
C 0.262765 -0.217510 -1.241112
C 2.290631 1.183321 -0.862126
C -0.812481 2.988235 0.584061
C 1.486133 2.131275 -0.179112
C 1.656308 0.006846 -1.369212
C -0.400331 -1.474858 -1.781653
C -4.086722 0.854410 0.419449
C 3.792689 1.401023 -1.058340
C -0.827787 -2.451387 -0.686401
C 4.673800 0.755177 0.014810
C -4.972934 1.077464 1.502855
C -4.598068 0.354509 -0.803098
C -2.147972 -2.971430 -0.641368
C 0.074294 -2.869582 0.320721
C 5.268022 -0.512889 -0.200409
C 4.923966 1.376926 1.262633
C -6.354653 0.821493 1.363935
C -5.981711 0.097934 -0.940610
C -6.865257 0.333113 0.138325
C -2.555570 -3.861229 0.381208
C -0.311698 -3.764023 1.344611
C 6.088621 -1.140451 0.759332
C 5.739135 0.769663 2.243771
C -1.635991 -4.257293 1.376510
C 6.326348 -0.490309 1.990100
H -2.250747 0.850651 1.574081
H -2.860331 3.293119 1.192147
H -2.656152 3.039170 -0.564539
H 0.312653 -1.973409 -2.461096
H -1.292697 -1.202617 -2.369214
H 4.030626 2.483842 -1.098435
H 4.086701 1.022539 -2.053889
H -4.583144 1.449414 2.459121
H -3.905834 0.153173 -1.625331
H 2.989800 3.387636 0.058598
H 3.369481 -0.954318 -1.895117
H 1.094849 -2.469339 0.300332
H 4.467697 2.350375 1.478390
H -7.029719 0.999099 2.208616
H -6.370732 -0.280222 -1.893420
H -7.937654 0.136161 0.028026
H -3.585033 -4.243517 0.398298
H 0.408929 -4.066841 2.111931
H 6.534253 -2.122868 0.556559
H 5.913215 1.275458 3.198644
H -1.954566 -4.945744 2.167100
H 6.961620 -0.968667 2.742554
H -3.966474 -2.806263 -1.424179
H 5.452264 -1.999511 -1.547824


