%chk=000017072.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017072

0 1
 O    5.295700     -2.1299999E-02 -6.5700002E-02
 C   -2.156200      0.2337000     -0.8845000    
 C  -0.9656000      1.7999999E-02  5.7000000E-02
 C   -3.550800      2.3100000E-02 -0.2652000    
 C   0.3924000      0.1760000     -0.6296000    
 C    1.541400     -5.4900002E-02  0.3553000    
 C    2.901100      6.3900001E-02 -0.3394000    
 C   -3.724900      -1.379300      0.3183000    
 C   -3.794700       1.070800      0.8249000    
 C    4.061700     -0.1300000      0.6289000    
 H   -2.099600       1.246600      -1.303500    
 H   -2.053800     -0.4521000      -1.735600    
 H   -1.020400      0.7285000      0.8894000    
 H   -1.015000     -0.9871000      0.4904000    
 H   -4.296700      0.1660000      -1.056800    
 H   0.4677000     -0.5386000      -1.458100    
 H   0.4713000       1.181300      -1.060500    
 H    1.479800      0.6769000       1.169800    
 H    1.448700      -1.050500      0.8059000    
 H    2.974300     -0.6740000      -1.148100    
 H    2.995000       1.045200     -0.8213000    
 H   -3.483400      -2.143500     -0.4277000    
 H   -4.763700      -1.534600      0.6296000    
 H   -3.093300      -1.543900       1.196900    
 H   -3.143000      0.9257000       1.692200    
 H   -4.829300       1.012300       1.180800    
 H   -3.635100       2.083300      0.4395000    
 H    4.045700      0.6339000       1.412300    
 H    4.019100      -1.113400       1.108200    
 H    5.309900     -0.7135000     -0.7485000    


%chk=000017072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017072

0 1
O 5.452881 0.052169 -0.055727
C -2.163257 0.185562 -0.870324
C -0.976809 -0.017706 0.101675
C -3.584900 0.045243 -0.253086
C 0.392297 0.130207 -0.600979
C 1.592124 -0.070744 0.352281
C 2.959844 0.075998 -0.353972
C -3.853250 -1.379895 0.289898
C -3.862176 1.112164 0.834311
C 4.147188 -0.127550 0.603779
H -2.075434 1.193357 -1.328679
H -2.066079 -0.543553 -1.702507
H -1.037225 0.716004 0.930579
H -1.036350 -1.023098 0.565185
H -4.303721 0.223501 -1.081700
H 0.458188 -0.602102 -1.433097
H 0.459364 1.135512 -1.067020
H 1.526831 0.664050 1.181612
H 1.521131 -1.074940 0.821002
H 3.024710 -0.661501 -1.183201
H 3.043096 1.080274 -0.813720
H -3.659376 -2.146788 -0.483815
H -4.904690 -1.484812 0.617024
H -3.210731 -1.606501 1.161119
H -3.223925 0.955440 1.723894
H -4.915289 1.068047 1.169686
H -3.668879 2.132823 0.453207
H 4.139990 0.637326 1.399118
H 4.084182 -1.128799 1.084693
H 5.518567 -0.591188 -0.806335


