%chk=000049333.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049333

0 1
 O   0.5850000       1.267200      -2.262800    
 O  -0.1486000     -0.5119000       2.127600    
 O   -2.480300       3.120700      0.5930000    
 N  -0.9637000       2.146700     -0.8273000    
 N   -1.324300       1.275300       1.317700    
 C   0.1965000      5.2499998E-02 -0.2029000    
 C  -0.4352000      -1.189200     -0.8120000    
 C    1.673200     -0.1814000     -5.0799999E-02
 C  -2.0400001E-02   1.202400      -1.190800    
 C  -0.4183000      0.2382000       1.187200    
 C   -1.929700      -1.064100     -0.8826000    
 C    2.485700      0.8431000      0.4188000    
 C    2.209100      -1.419700     -0.3816000    
 C   -1.651000       2.236000      0.3732000    
 C   -2.851500      -1.817000     -0.2525000    
 C    3.856400      0.6256000      0.5600000    
 C    3.579800      -1.637000     -0.2406000    
 C    4.403600     -0.6145000      0.2307000    
 C   -4.338900      -1.638200     -0.3668000    
 C   -2.427400      -2.934700      0.6626000    
 H  -9.0200000E-02  -1.362400      -1.841800    
 H  -0.2110000      -2.093700     -0.2400000    
 H   -2.304800     -0.2895000      -1.550100    
 H   -1.153500       2.876900      -1.508100    
 H   -1.780500       1.361900       2.221600    
 H    2.075300       1.813800      0.6829000    
 H    1.662500      -2.266700     -0.7746000    
 H    4.497600       1.421700      0.9271000    
 H    4.008400      -2.600500     -0.5016000    
 H    5.470900     -0.7835000      0.3396000    
 H   -4.805500      -2.555800     -0.7390000    
 H   -4.771500      -1.393300      0.6085000    
 H   -4.594900     -0.8285000      -1.058100    
 H   -1.530300      -2.704900       1.242400    
 H   -2.264200      -3.852900      8.9400001E-02
 H   -3.209400      -3.140300       1.402900    


%chk=000049333-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049333

0 1
O -0.104884 1.077267 -2.346259
O -0.333737 -0.975610 2.059896
O -1.549181 3.451020 1.373309
N -0.784807 2.221989 -0.461645
N -0.837503 1.247346 1.691335
C 0.122102 -0.115437 -0.203613
C -0.520474 -1.402238 -0.836891
C 1.675830 -0.186854 -0.119931
C -0.257688 1.082534 -1.099848
C -0.371897 -0.008232 1.259653
C -2.015159 -1.276620 -1.062154
C 2.434909 1.008236 -0.021090
C 2.351687 -1.429944 -0.071497
C -1.085263 2.383098 0.903180
C -3.010634 -1.948088 -0.411473
C 3.839122 0.962612 0.109028
C 3.757488 -1.475412 0.058709
C 4.507556 -0.281785 0.149961
C -4.464311 -1.737294 -0.805494
C -2.796984 -2.951251 0.708934
H -0.011032 -1.568705 -1.804163
H -0.296104 -2.251718 -0.173630
H -2.306016 -0.592088 -1.873293
H -1.008011 3.024768 -1.060009
H -1.092212 1.331636 2.681072
H 1.938172 1.985295 -0.054409
H 1.794593 -2.368333 -0.132473
H 4.408372 1.896024 0.177678
H 4.265246 -2.445621 0.091756
H 5.597572 -0.320355 0.251515
H -4.932804 -2.694889 -1.108149
H -5.055061 -1.354889 0.050401
H -4.567521 -1.025649 -1.642669
H -1.767843 -2.959249 1.099799
H -3.053818 -3.973506 0.365514
H -3.470806 -2.725757 1.558149


