%chk=000181277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181277

0 1
O -2.647979 -1.369559 0.328337
O 2.086349 2.781070 -0.154857
O -4.523374 -0.297418 -0.243739
C 1.330805 0.458505 -0.447063
C 1.594005 -0.619295 0.644624
C 1.069053 -2.041066 0.367211
C -0.137465 0.903442 -0.573639
C -1.079645 0.475332 0.559748
C 3.103230 -0.495031 0.961079
C -1.262077 -1.066139 0.725639
C -0.391330 -1.979450 -0.129470
C 2.254046 1.606241 0.049475
C 3.404886 1.008316 0.841676
C 1.871795 0.085734 -1.834673
C 1.913190 -2.868096 -0.604823
C -2.480207 0.976556 0.290373
C -3.370288 -0.207840 0.079227
C -2.903361 2.235518 0.247038
H 1.064150 -0.275538 1.575279
H 1.078867 -2.580204 1.351981
H -0.556337 0.537341 -1.535075
H -0.162585 2.014371 -0.661611
H -0.704708 0.899426 1.523333
H 3.713537 -1.079835 0.250391
H 3.338228 -0.884477 1.964081
H -1.227925 -1.355122 1.798808
H -0.431419 -1.662025 -1.190234
H -0.836416 -2.997346 -0.125526
H 4.368456 1.207498 0.339793
H 3.484876 1.498059 1.829606
H 1.374100 -0.813129 -2.224950
H 1.713989 0.896799 -2.556715
H 2.946333 -0.131500 -1.813623
H 1.548466 -3.900485 -0.664244
H 1.891355 -2.457603 -1.622736
H 2.962473 -2.910618 -0.291617
H -2.255416 3.089670 0.405043
H -3.938057 2.500097 0.045953


%chk=000181277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181277

0 1
O -2.701858 -1.348929 0.198786
O 2.021986 2.841323 -0.178398
O -4.628756 -0.118412 -0.242351
C 1.344637 0.457159 -0.490737
C 1.642718 -0.636514 0.595238
C 1.084451 -2.074248 0.390167
C -0.149261 0.871906 -0.647404
C -1.075670 0.467577 0.530410
C 3.164444 -0.484250 0.876150
C -1.297636 -1.084986 0.677019
C -0.383715 -2.029422 -0.118229
C 2.223545 1.624092 0.045579
C 3.373367 1.052441 0.892114
C 1.924578 0.144121 -1.908180
C 1.936883 -3.007570 -0.503048
C -2.488587 1.001013 0.338692
C -3.423125 -0.139826 0.065971
C -2.922241 2.285334 0.366948
H 1.144776 -0.261179 1.517607
H 1.068764 -2.538512 1.401177
H -0.562140 0.449242 -1.582651
H -0.185656 1.973021 -0.764355
H -0.651694 0.867268 1.469997
H 3.766160 -0.950856 0.076104
H 3.458553 -0.961146 1.827795
H -1.293340 -1.365145 1.748589
H -0.407544 -1.743967 -1.186220
H -0.821486 -3.043610 -0.057109
H 4.349443 1.390753 0.500947
H 3.284062 1.470798 1.913855
H 1.375162 -0.690377 -2.376731
H 1.807777 1.033043 -2.554427
H 2.996715 -0.120202 -1.885379
H 1.466080 -4.006622 -0.561832
H 2.038770 -2.627659 -1.534068
H 2.952166 -3.145310 -0.090024
H -2.247151 3.126347 0.560488
H -3.981578 2.505502 0.191608


