%chk=000112022.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112022

0 1
 O   -2.333700      0.9798000     -0.5827000    
 O   -1.429100       2.607500      0.7477000    
 O   -2.785300      -1.004900      -1.629000    
 C   0.6573000      0.2539000      0.9453000    
 C  -1.1400000E-02  -1.527900     -0.2271000    
 C   0.8015000     -0.2466000     -0.5071000    
 C  -0.8810000      0.2812000       1.119600    
 C   -1.342000     -0.9474000      0.3113000    
 C    1.135200     -0.9757000       1.691100    
 C   0.7333000      -2.046400      0.9865000    
 C    2.227800     -0.4446000      -1.019900    
 C   -1.555900       1.432000      0.4407000    
 C   -2.232100     -0.3696000     -0.7445000    
 C    2.954300      0.8603000      -1.112900    
 C    4.060900       1.148500     -0.4189000    
 H    1.183300       1.179900       1.181200    
 H  -8.3300002E-02  -2.220400      -1.066800    
 H   0.2846000      0.4107000      -1.218800    
 H   -1.208300      0.2278000       2.163700    
 H   -1.912900      -1.650000      0.9280000    
 H    1.652400     -0.9863000       2.637000    
 H   0.8659000      -3.081100       1.258800    
 H    2.181800     -0.8837000      -2.024500    
 H    2.802200      -1.155700     -0.4154000    
 H    2.556800       1.608700      -1.793700    
 H    4.545000       2.112200     -0.5328000    
 H    4.499900      0.4365000      0.2712000    


%chk=000112022-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112022

0 1
O -2.299262 1.035759 -0.698925
O -1.485303 2.665815 0.764556
O -2.821349 -0.998610 -1.723087
C 0.668778 0.233889 1.009288
C 0.006889 -1.572350 -0.218583
C 0.812112 -0.250282 -0.476847
C -0.917728 0.262141 1.147944
C -1.369582 -0.971156 0.310454
C 1.100603 -1.023794 1.773514
C 0.705729 -2.104340 1.039570
C 2.251718 -0.418080 -1.012787
C -1.549811 1.471704 0.465967
C -2.237701 -0.408586 -0.811137
C 2.979612 0.908313 -1.120192
C 4.173665 1.191213 -0.541963
H 1.152748 1.180596 1.285743
H -0.115516 -2.270346 -1.059271
H 0.270349 0.423266 -1.171689
H -1.219628 0.247069 2.206759
H -1.942295 -1.731021 0.864561
H 1.569608 -1.021160 2.760426
H 0.783665 -3.160745 1.308066
H 2.184595 -0.879657 -2.020640
H 2.823686 -1.114145 -0.374072
H 2.480317 1.685050 -1.721843
H 4.653740 2.168739 -0.663314
H 4.707560 0.449421 0.065502


