%chk=000055262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055262

0 1
 O   0.7673000      0.6522000      0.9755000    
 O    1.500900       3.307700      0.5168000    
 O   -1.752100      -2.555000      0.5056000    
 O   -5.178900      0.3963000     -0.3838000    
 N   -1.212100     -0.3056000      0.1768000    
 N    3.100900      -1.178700      6.8899997E-02
 N   -3.457200      -1.083900      6.1799999E-02
 N    4.331900      -1.078600     -6.3600004E-02
 N    5.463800     -0.9958000     -0.1782000    
 C    2.301600     -0.1746000     -0.6449000    
 C   0.9334000     -0.7442000     -0.9377000    
 C   0.1933000     -0.5121000      0.3674000    
 C    1.995900      0.9807000      0.3000000    
 C    1.789000       2.299300     -0.4353000    
 C   -2.107200      -1.399000      0.2659000    
 C   -1.697700      0.9691000     -9.5600002E-02
 C   -2.987400       1.253900     -0.2878000    
 C   -3.985400      0.1682000     -0.2119000    
 H    2.813900      0.1394000      -1.562400    
 H   0.4719000     -0.1792000      -1.757400    
 H   0.9378000      -1.799400      -1.229400    
 H   0.3590000      -1.352200       1.052300    
 H    2.763300       1.113700       1.071400    
 H   0.9659000       2.259300      -1.153900    
 H    2.697400       2.589500     -0.9719000    
 H  -0.9800000       1.774400     -0.1622000    
 H   0.7081000       3.032300       1.007800    
 H   -4.116800      -1.854700      0.1214000    
 H   -3.327300       2.259800     -0.5014000    


%chk=000055262-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055262

0 1
O 0.761209 0.632182 0.871537
O 1.548964 3.321565 0.797202
O -1.678826 -2.436646 1.018497
O -5.372393 0.205362 -0.101482
N -1.280203 -0.321166 0.043702
N 3.068576 -1.297426 -0.336976
N -3.490518 -1.069584 0.444533
N 4.269098 -1.162616 0.050856
N 5.384935 -1.241199 0.447812
C 2.337092 -0.083641 -0.843204
C 0.919252 -0.558072 -1.216073
C 0.174082 -0.519309 0.136666
C 2.084970 0.975243 0.269327
C 1.993968 2.417793 -0.257756
C -2.124825 -1.358734 0.545583
C -1.807148 0.867040 -0.463356
C -3.153231 1.110219 -0.545377
C -4.114708 0.109333 -0.079541
H 2.878080 0.352948 -1.705698
H 0.458771 0.136663 -1.939897
H 0.928578 -1.570215 -1.647149
H 0.326682 -1.445820 0.714388
H 2.831478 0.919259 1.082468
H 1.313566 2.461128 -1.138837
H 2.989701 2.782641 -0.564104
H -1.067282 1.610346 -0.771102
H 0.773839 2.896222 1.250949
H -4.120609 -1.800358 0.791878
H -3.539896 2.049641 -0.940647


