%chk=000048840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048840

0 1
 O    1.378000      -1.138800      0.1603000    
 O    1.735400       1.681400     -0.3114000    
 N   -2.116400     -1.9600000E-02  0.2080000    
 C   -4.635200      0.1834000      0.1827000    
 C  -0.9929000     -0.9030000      5.4000001E-03
 C   -3.382200     -0.6903000     -8.1000000E-02
 C   0.3159000     -0.1852000      0.3003000    
 C   0.5391000      0.9766000     -0.6587000    
 C   -5.924300     -0.6093000     -9.6699998E-02
 C   -4.661400      0.6985000       1.632700    
 C   -4.587400       1.395900     -0.7665000    
 C   -1.013500      -1.457700      -1.413700    
 C    2.609900     -0.5398000      0.1387000    
 C    2.782400      0.8289000     -7.9000004E-02
 C    3.720000      -1.361500      0.3355000    
 C    4.061800       1.384200     -5.5900000E-02
 C    5.000300     -0.8077000      0.3446000    
 C    5.170600      0.5640000      0.1547000    
 H   -1.058800      -1.757900      0.6926000    
 H   -3.437100     -0.9959000      -1.131700    
 H   -3.460800      -1.600500      0.5286000    
 H   0.3242000      0.1689000       1.341300    
 H   -2.110300      0.3184000       1.168800    
 H   0.6438000      0.6522000      -1.701200    
 H  -0.2776000       1.703800     -0.6121000    
 H   -5.947400     -0.9743000      -1.129600    
 H   -6.000200      -1.478300      0.5662000    
 H   -6.815400      9.2000002E-03  5.8800001E-02
 H   -5.593800       1.236900       1.839300    
 H   -4.594900     -0.1320000       2.344200    
 H   -3.841400       1.392900       1.843200    
 H   -5.478000       2.023400     -0.6445000    
 H   -4.550100       1.078300      -1.814800    
 H   -3.715700       2.031800     -0.5775000    
 H   -1.212000     -0.6852000      -2.165900    
 H  -6.1700001E-02  -1.930800      -1.679600    
 H   -1.768200      -2.243900      -1.530800    
 H    3.595600      -2.429400      0.4929000    
 H    4.204200       2.450000     -0.2118000    
 H    5.865600      -1.444600      0.5042000    
 H    6.168300      0.9933000      0.1665000    


%chk=000048840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048840

0 1
O 1.412049 -1.175598 0.054853
O 1.730137 1.714564 -0.268324
N -2.167169 -0.166801 0.132789
C -4.669713 0.221378 0.229888
C -1.003686 -1.034907 -0.196337
C -3.504981 -0.782401 -0.028635
C 0.269742 -0.229813 0.145608
C 0.539786 0.980054 -0.758047
C -6.002606 -0.564117 0.118042
C -4.561283 0.834636 1.652620
C -4.636102 1.351661 -0.830518
C -1.027274 -1.500413 -1.667217
C 2.676376 -0.544047 0.134753
C 2.828847 0.864223 -0.005368
C 3.805842 -1.354894 0.368123
C 4.105131 1.449681 0.120534
C 5.084537 -0.767141 0.480097
C 5.232747 0.637118 0.366916
H -0.965445 -1.949999 0.446925
H -3.594346 -1.148402 -1.068077
H -3.644455 -1.669538 0.641568
H 0.214353 0.127009 1.198022
H -2.066232 0.207122 1.088635
H 0.722071 0.658933 -1.800695
H -0.296577 1.692977 -0.720917
H -6.095658 -1.051916 -0.871064
H -6.073784 -1.349388 0.894926
H -6.866266 0.115334 0.241907
H -5.455949 1.445158 1.875488
H -4.491690 0.045877 2.426986
H -3.683503 1.501475 1.747911
H -5.409318 2.114101 -0.619031
H -4.824733 0.947706 -1.843527
H -3.646852 1.842101 -0.839412
H -1.248715 -0.656336 -2.344657
H -0.048215 -1.935168 -1.932569
H -1.792306 -2.279287 -1.827961
H 3.661168 -2.435475 0.467325
H 4.192616 2.535403 0.012133
H 5.958088 -1.401785 0.661664
H 6.221771 1.097214 0.461743


