%chk=000101146.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101146

0 1
 O    2.242900      0.2824000     -0.4236000    
 O   -2.242500     -0.2755000     -0.4207000    
 O    1.048000      -2.134300     -0.1662000    
 O   -1.037700       2.167900     -0.2215000    
 C    1.518100      3.5500001E-02  0.7718000    
 C   -1.518400      2.1900000E-02  0.7633000    
 C   0.7078000       1.267900       1.149900    
 C  -0.7084000      -1.202700       1.169100    
 C   0.6532000      -1.185500      0.5107000    
 C  -0.6484000       1.236200      0.4819000    
 C    3.608500      0.1798000     -0.3527000    
 C   -3.609200     -0.1890000     -0.3498000    
 C    4.314500       1.002300      0.5170000    
 C   -4.301900     -0.9910000      0.5494000    
 C    4.271400     -0.7443000      -1.151500    
 C   -4.286400      0.6981000      -1.177800    
 C    6.376700     -2.5500000E-02 -0.2091000    
 C   -6.379500     -1.6600000E-02 -0.2059000    
 C    5.703700      0.8994000      0.5891000    
 C   -5.692200     -0.9045000      0.6216000    
 C    5.660600     -0.8474000      -1.079300    
 C   -5.676700      0.7847000      -1.105700    
 C    7.861700     -0.1365000     -0.1316000    
 C   -7.865800      7.6800004E-02 -0.1284000    
 H    2.181500     -0.2247000       1.607700    
 H   -2.183400      0.3004000       1.591900    
 H    1.224100       2.190900      0.8655000    
 H   0.5293000       1.298400       2.231000    
 H   -1.221400      -2.132900      0.9020000    
 H  -0.5366000      -1.211000       2.251800    
 H    3.804100       1.733600       1.137200    
 H   -3.780500      -1.693700       1.192900    
 H    3.717200      -1.385800      -1.830600    
 H   -3.742300       1.323500      -1.879800    
 H    6.250800       1.547900       1.268300    
 H   -6.228900      -1.536700       1.324100    
 H    6.173700      -1.570800      -1.707500    
 H   -6.201000       1.479200      -1.756800    
 H    8.192900      -1.159500     -0.3404000    
 H    8.327200      0.5380000     -0.8571000    
 H    8.225700      0.1195000      0.8693000    
 H   -8.211300       1.087500     -0.3708000    
 H   -8.323500     -0.6280000     -0.8295000    
 H   -8.224200     -0.1502000      0.8815000    


%chk=000101146-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101146

0 1
O 1.687862 -1.055061 1.464451
O -1.347295 -1.033364 1.037234
O 1.341273 -1.600462 4.747183
O -1.674087 1.602560 3.181650
C 1.491263 -0.277919 2.699105
C -1.426562 -0.726141 2.480250
C 0.577453 0.967096 2.490739
C -0.558579 -1.779319 3.215538
C 0.809504 -1.267320 3.661773
C -0.906001 0.704805 2.750700
C 2.514907 -0.507525 0.457623
C -2.330107 -0.484027 0.171766
C 3.275496 0.677273 0.590856
C -3.351338 0.411182 0.562815
C 2.564565 -1.253082 -0.744774
C -2.230139 -0.913102 -1.173270
C 4.157655 0.372801 -1.699237
C -4.211522 0.435580 -1.758378
C 4.087428 1.101218 -0.488909
C -4.281002 0.854821 -0.409216
C 3.379494 -0.813693 -1.803321
C -3.163446 -0.455042 -2.120839
C 5.029154 0.834278 -2.854738
C -5.213518 0.918286 -2.793377
H 2.469140 0.014918 3.125116
H -2.479056 -0.784271 2.817296
H 0.687907 1.319105 1.445300
H 0.885815 1.802846 3.143775
H -0.390169 -2.611181 2.503068
H -1.078632 -2.187086 4.097832
H 3.258900 1.268973 1.511162
H -3.427228 0.786207 1.587393
H 1.965869 -2.165734 -0.821742
H -1.424630 -1.600731 -1.449483
H 4.676763 2.019237 -0.378067
H -5.071497 1.549468 -0.100981
H 3.414360 -1.400366 -2.729487
H -3.080011 -0.795184 -3.160392
H 5.763372 0.057965 -3.141358
H 4.423418 1.055973 -3.753872
H 5.591576 1.748217 -2.597265
H -4.714105 1.465022 -3.615612
H -5.760081 0.072156 -3.251270
H -5.960767 1.596323 -2.346336


