%chk=000049353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049353

0 1
 I   0.7861000      -2.195800       2.038900    
 I   -4.109700      5.1399998E-02 -0.8078000    
 I   0.8924000       3.491800     -0.1784000    
 O    2.785500      0.3843000      0.3534000    
 O    4.740800      0.8236000      -1.598000    
 O    5.574500      -1.803200      -1.903000    
 O    2.162100       1.203100       2.412600    
 O   -3.355800      -4.696700      0.4912000    
 O   -3.125200       3.758600      0.7389000    
 N   -2.003000      -2.972500     -0.2966000    
 N   -2.079700       2.549600     -0.9919000    
 C   -1.481700     -0.7524000      0.5601000    
 C   0.4998000      0.6071000      0.8106000    
 C   -2.206600      -2.047000      0.7843000    
 C  -0.1742000     -0.5961000       1.020100    
 C   -1.441500       1.497600     -0.3188000    
 C   -2.115300      0.2944000     -0.1094000    
 C  -0.1339000       1.653900      0.1412000    
 C    5.033300      2.5900001E-02 -0.4483000    
 C    4.159600      0.4963000      0.7089000    
 C    1.890900      0.7735000       1.302000    
 C    4.753100      -1.428800     -0.8021000    
 C   -2.597800      -4.225900     -0.3527000    
 C   -2.853600       3.574800     -0.4432000    
 C   -2.235800      -4.980100      -1.604100    
 C   -3.364300       4.512900      -1.507800    
 H   -3.281900      -1.922900      0.9386000    
 H   -1.934300      -2.543500       1.719600    
 H    6.094100      0.1662000     -0.2171000    
 H    4.362800     -0.1014000       1.604900    
 H    4.377200       1.550300      0.9194000    
 H    3.713000      -1.575800      -1.111200    
 H    4.975200      -2.088900      4.2100001E-02
 H   -1.392800      -2.694400      -1.060700    
 H   -2.050400       2.478600      -2.006700    
 H    3.790900      0.7351000      -1.787800    
 H   -1.153000      -4.960400      -1.758000    
 H   -2.557700      -6.021100      -1.513200    
 H   -2.734500      -4.522000      -2.462600    
 H   -4.090200       3.991400      -2.137900    
 H   -2.534300       4.869300      -2.124400    
 H   -3.850000       5.373900      -1.040200    
 H    5.377600      -2.734700      -2.101400    


%chk=000049353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049353

0 1
I 0.736343 -2.354182 2.336412
I -4.072158 -0.163100 -0.950080
I 1.137666 3.056030 -0.499813
O 2.871977 0.180126 0.527299
O 4.677378 1.326853 -1.337191
O 5.823327 -1.054080 -2.291812
O 2.165506 0.976846 2.604245
O -4.464283 -3.801065 -0.096753
O -2.082654 3.858915 0.476429
N -2.190844 -3.310071 -0.002156
N -1.968059 2.255636 -1.221994
C -1.550640 -1.003507 0.676331
C 0.521110 0.360244 0.886219
C -2.345121 -2.257754 1.016581
C -0.231016 -0.804987 1.170709
C -1.374435 1.231323 -0.431951
C -2.091027 0.037523 -0.129155
C -0.049649 1.361283 0.064982
C 5.108125 0.295011 -0.366970
C 4.300644 0.395330 0.925709
C 1.905079 0.549610 1.463351
C 5.049969 -1.086655 -1.052078
C -3.280030 -4.032333 -0.482861
C -2.324773 3.522678 -0.711356
C -2.947403 -5.110639 -1.509279
C -2.985173 4.442863 -1.729379
H -3.427666 -2.050894 1.075469
H -2.026953 -2.632570 2.006759
H 6.163050 0.543823 -0.153176
H 4.580918 -0.378790 1.662626
H 4.387131 1.394128 1.386997
H 3.992502 -1.369887 -1.240085
H 5.522175 -1.858392 -0.419391
H -1.245769 -3.576673 -0.284167
H -2.341909 1.990801 -2.136873
H 3.682416 1.353405 -1.335887
H -1.869531 -5.195422 -1.730900
H -3.315801 -6.083356 -1.141040
H -3.487386 -4.890720 -2.446343
H -3.462789 3.901813 -2.565008
H -2.222656 5.125341 -2.147996
H -3.739347 5.058255 -1.214917
H 5.583452 -0.202761 -2.748007


