%chk=000227637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227637

0 1
O -0.248801 1.434758 -0.008321
O 0.526401 3.484407 -0.009876
C -2.675765 0.088169 -0.018446
C -1.328806 -0.643482 -0.008074
C -0.098749 0.076489 -0.003686
C -3.863278 -0.897216 -0.022822
C -2.761271 0.957440 -1.286785
C -2.776420 0.964912 1.243619
C 1.183894 -0.532065 0.004996
C -1.228417 -2.025357 -0.002232
C 1.214976 -1.959000 0.010699
C 0.020751 -2.671887 0.007133
C 2.340860 0.355393 0.007201
C 2.479136 -2.755894 0.020699
C 2.165615 1.706226 0.002365
C 0.873697 2.333902 -0.005019
C 3.740748 -0.160019 0.014346
H -4.814198 -0.351526 -0.030483
H -3.858917 -1.538283 -0.909515
H -3.870076 -1.532764 0.867824
H -2.621213 0.363846 -2.194035
H -3.729220 1.461987 -1.360269
H -1.992538 1.744524 -1.282458
H -3.745071 1.469975 1.302515
H -2.647370 0.376679 2.155986
H -2.007410 1.751769 1.243841
H -2.124776 -2.650264 -0.004729
H 0.037138 -3.760917 0.011645
H 3.093953 -2.551128 -0.868812
H 3.085337 -2.542550 0.914091
H 2.291835 -3.839948 0.025018
H 3.008633 2.400179 0.003791
H 4.490017 0.646533 0.013538
H 3.947313 -0.779585 -0.872972
H 3.940992 -0.771901 0.908425


%chk=000227637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227637

0 1
O -0.204809 1.487399 -0.010253
O 0.678620 3.610980 -0.013470
C -2.702510 0.101772 -0.018423
C -1.327511 -0.613738 -0.008579
C -0.083712 0.089362 -0.004432
C -3.871069 -0.922317 -0.021050
C -2.847455 0.979715 -1.299934
C -2.860922 0.988437 1.255470
C 1.213239 -0.541163 0.004816
C -1.222545 -2.018940 -0.002889
C 1.252035 -1.985180 0.010016
C 0.026433 -2.678623 0.006036
C 2.387317 0.353498 0.008160
C 2.512515 -2.841329 0.019001
C 2.212651 1.726907 0.002037
C 0.923127 2.386852 -0.007677
C 3.823343 -0.140149 0.018531
H -4.827579 -0.369423 -0.027766
H -3.856517 -1.569676 -0.917879
H -3.865655 -1.563726 0.880138
H -2.757040 0.360974 -2.212362
H -3.845539 1.456598 -1.307787
H -2.086014 1.773486 -1.333782
H -3.859070 1.465211 1.249657
H -2.779976 0.376005 2.173031
H -2.099947 1.782548 1.291800
H -2.130017 -2.626896 -0.005498
H 0.043331 -3.774063 0.009926
H 3.146759 -2.675047 -0.869100
H 3.138807 -2.668722 0.911512
H 2.229838 -3.907199 0.021527
H 3.075803 2.398053 0.004455
H 4.514970 0.717953 0.018704
H 4.054217 -0.757089 -0.866587
H 4.043882 -0.749067 0.911848


