%chk=000227279.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227279

0 1
 O  -0.7952000       2.870500      0.5859000    
 O   0.8042000      -2.889100      0.4948000    
 O    2.218800       1.694700      -2.034100    
 O   -2.233000      -1.606300      -2.071600    
 O   0.7124000       3.367000      -1.513500    
 O  -0.7491000      -3.316600      -1.614000    
 O   -3.881700      0.2687000       1.535500    
 O    3.896000     -0.3278000       1.512600    
 O   -2.597900       2.049700       2.254400    
 O    2.614400      -2.133300       2.171800    
 C   0.4786000       1.163400     -0.5535000    
 C  -0.4719000      -1.146400     -0.5926000    
 C   2.9000000E-03  2.3700001E-02  -1.467100    
 C    1.480400      0.6644000      0.5201000    
 C   -1.473700     -0.6857000      0.4973000    
 C    1.951200     -0.7795000      0.2957000    
 C   -1.943100      0.7662000      0.3268000    
 C  -0.7573000       1.712700      0.1670000    
 C   0.7648000      -1.720100      0.1084000    
 C    1.125900       2.220000      -1.410600    
 C   -1.143300      -2.166700      -1.473900    
 C   -2.821500       1.124600       1.485300    
 C    2.835000      -1.180700       1.436200    
 C    2.932900       2.595800      -2.886200    
 C   -2.969100      -2.470700      -2.943000    
 C   -4.807400      0.4983000       2.602400    
 C    4.826700     -0.5970000       2.565900    
 H  -0.7908000      0.3890000      -2.133600    
 H   0.7963000     -0.3189000      -2.146000    
 H    2.345100       1.339700      0.5680000    
 H    1.025900      0.7297000       1.519600    
 H   -2.339200      -1.361400      0.5259000    
 H   -1.017500     -0.7860000       1.493200    
 H    2.550100     -0.8518000     -0.6211000    
 H   -2.546200      0.8717000     -0.5840000    
 H    3.778100       2.055100      -3.320300    
 H    3.316800       3.440700      -2.306600    
 H    2.285200       2.944200      -3.696200    
 H   -3.809200      -1.904200      -3.353200    
 H   -2.334200      -2.805500      -3.768800    
 H   -3.361300      -3.326100      -2.384600    
 H   -5.251300       1.494200       2.510900    
 H   -5.602400     -0.2485000       2.529300    
 H   -4.306800      0.3851000       3.568800    
 H    4.330800     -0.5190000       3.538100    
 H    5.269400      -1.589100       2.435800    
 H    5.621900      0.1515000       2.516400    


%chk=000227279-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227279

0 1
O -1.028941 2.912320 0.383885
O 1.026202 -2.924525 0.258258
O 1.951123 3.073236 -1.006346
O -1.947783 -3.044915 -1.102712
O 0.429228 2.652703 -2.708265
O -0.465855 -2.534171 -2.815447
O -4.030663 1.643540 0.965666
O 4.033714 -1.667842 0.877406
O -2.578189 0.829043 2.598054
O 2.584068 -0.932666 2.549522
C 0.391013 1.214735 -0.711935
C -0.402393 -1.184416 -0.758228
C -0.007824 0.033021 -1.635671
C 1.381938 0.755205 0.423962
C -1.387811 -0.769883 0.399956
C 1.976068 -0.654977 0.172554
C -1.982555 0.649285 0.208482
C -0.893158 1.728728 0.003289
C 0.885961 -1.726134 -0.070825
C 0.913514 2.364891 -1.589679
C -0.930542 -2.299951 -1.676197
C -2.862461 1.030116 1.397521
C 2.863054 -1.082045 1.340266
C 2.411352 4.271370 -1.755020
C -2.407520 -4.218399 -1.889380
C -4.926856 2.147351 2.039089
C 4.940933 -2.205752 1.924715
H -0.839172 0.334601 -2.294515
H 0.820212 -0.241901 -2.310151
H 2.194780 1.493137 0.500203
H 0.882390 0.749034 1.409462
H -2.200379 -1.510212 0.450734
H -0.883691 -0.803104 1.382598
H 2.603369 -0.648792 -0.741170
H -2.614841 0.680760 -0.701277
H 3.227253 4.683811 -1.146281
H 1.579886 4.988389 -1.850675
H 2.762985 3.979654 -2.758421
H -3.206359 -4.665124 -1.282177
H -2.782087 -3.892304 -2.873711
H -1.569323 -4.920294 -2.028616
H -4.399990 2.910221 2.635289
H -5.784503 2.579696 1.506348
H -5.236981 1.317495 2.695639
H 5.248832 -1.399282 2.610792
H 4.424307 -2.995358 2.494476
H 5.798398 -2.610096 1.370131


