%chk=000122888.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122888

0 1
 O    2.945200       3.134400     -0.4366000    
 O    4.219300       2.060500       1.122100    
 C   -1.114100      -1.149900      0.6337000    
 C   -2.266300     -0.6649000     -0.2520000    
 C   7.2800003E-02  -1.695200     -0.1642000    
 C   -3.464000     -0.1417000      0.5442000    
 C    1.221100      -2.192100      0.7207000    
 C   -4.589000      0.3187000     -0.3856000    
 C    2.475100      -2.669400     -2.2600001E-02
 C   -5.799000      0.8116000      0.4076000    
 C    3.126600      -1.634000     -0.9455000    
 C   -6.906600       1.300600     -0.5119000    
 C    3.501900     -0.3661000     -0.2330000    
 C    3.079600      0.8461000     -0.6162000    
 C    3.497600       2.041400      0.1393000    
 H  -0.7740000     -0.3210000       1.266600    
 H   -1.483700      -1.932700       1.307400    
 H   -2.593700      -1.490900     -0.8956000    
 H   -1.898500      0.1273000     -0.9159000    
 H  -0.2648000      -2.518100     -0.8058000    
 H   0.4293000     -0.9018000     -0.8296000    
 H   -3.145300      0.6926000       1.180600    
 H   -3.834300     -0.9325000       1.207700    
 H   0.8533000      -3.023200       1.336100    
 H    1.500100      -1.398600       1.424900    
 H   -4.891700     -0.5101000      -1.037200    
 H   -4.221300       1.122600      -1.034900    
 H    3.210700      -3.002800      0.7207000    
 H    2.218300      -3.553200     -0.6199000    
 H   -6.185100      2.7999999E-03   1.038900    
 H   -5.499600       1.628800       1.074200    
 H    2.467100      -1.427800      -1.796700    
 H    4.040000      -2.071100      -1.367200    
 H   -6.561700       2.133200      -1.133400    
 H   -7.762100       1.647400      7.6099999E-02
 H   -7.251000      0.4983000      -1.172200    
 H    4.162100     -0.4731000      0.6243000    
 H    2.427000      0.9738000      -1.473000    
 H    3.192800       3.960800      3.0600000E-02


%chk=000122888-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122888

0 1
O 3.711487 3.240751 -0.367799
O 4.898610 1.901647 1.120643
C -1.210438 -1.105827 0.626660
C -2.387284 -0.676974 -0.278075
C 0.025651 -1.591126 -0.164502
C -3.623316 -0.193120 0.513760
C 1.200962 -2.003492 0.751016
C -4.800381 0.236690 -0.390333
C 2.417043 -2.597691 -0.000213
C -6.036316 0.721392 0.401918
C 3.120138 -1.609867 -0.978630
C -7.207243 1.148401 -0.509441
C 3.707840 -0.413644 -0.277012
C 3.468666 0.888845 -0.599951
C 4.106574 1.990469 0.148780
H -0.917466 -0.254201 1.275586
H -1.548023 -1.914074 1.309002
H -2.679235 -1.528017 -0.928699
H -2.049836 0.132594 -0.958926
H -0.262072 -2.452329 -0.804053
H 0.348487 -0.783726 -0.853077
H -3.331075 0.657809 1.164239
H -3.961375 -1.002153 1.195030
H 0.838051 -2.756043 1.480747
H 1.525425 -1.125103 1.345363
H -5.094177 -0.613752 -1.040948
H -4.463946 1.046305 -1.071712
H 3.163127 -2.955529 0.738126
H 2.093128 -3.486049 -0.578814
H -6.372059 -0.087267 1.083079
H -5.741450 1.571083 1.051263
H 2.423901 -1.287043 -1.774333
H 3.944550 -2.160743 -1.479678
H -6.906191 1.976015 -1.179396
H -8.077542 1.490747 0.080338
H -7.540031 0.306999 -1.146280
H 4.387890 -0.612048 0.567061
H 2.803249 1.172821 -1.421825
H 4.158775 3.957948 0.157788


