%chk=000052411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052411

0 1
 O    1.778000     -0.4772000      0.5595000    
 O   0.8853000      -1.421900      -1.347300    
 O  -2.9600000E-02   1.398900      -1.139800    
 N   -1.606200      0.7859000      0.4682000    
 N   -2.744900      -1.121400       1.185400    
 N  -0.9895000       2.980900      0.2102000    
 C   -1.684900     -0.6639000      0.2719000    
 C  -0.3939000      -1.382900      0.7054000    
 C   -2.133800      -1.047100      -1.143700    
 C   0.8121000      -1.111700     -0.1653000    
 C  -0.8081000       1.681200     -0.2318000    
 C    2.976000     -0.1580000     -0.1554000    
 C    3.939600      0.5372000      0.7826000    
 H  -0.5322000      -2.472700      0.7068000    
 H  -0.1424000      -1.111600       1.740400    
 H   -1.451500     -0.6712000      -1.911500    
 H   -2.206100      -2.134500      -1.261500    
 H   -3.117000     -0.6189000      -1.376400    
 H   -2.189800       1.170400       1.204200    
 H   -2.504500     -0.8629000       2.141600    
 H   -3.613300     -0.6340000      0.9683000    
 H    3.430200      -1.079600     -0.5358000    
 H    2.736600      0.5026000     -0.9960000    
 H    4.869100      0.7955000      0.2676000    
 H    3.492200       1.452000       1.185300    
 H    4.175500     -0.1045000       1.637900    
 H   -1.635100       3.205000      0.9598000    
 H  -0.4773000       3.752200     -0.2046000    


%chk=000052411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052411

0 1
O 1.737046 -0.506204 0.612422
O 0.961509 -1.800798 -1.168741
O 0.119443 1.299695 -1.055607
N -1.538706 0.869622 0.556374
N -2.873528 -0.950426 1.204077
N -0.748265 3.052977 0.207088
C -1.737848 -0.598549 0.329859
C -0.478276 -1.419239 0.794623
C -2.106952 -0.887859 -1.142424
C 0.776320 -1.265807 -0.050886
C -0.679251 1.701561 -0.149026
C 2.931917 -0.136987 -0.205971
C 3.845556 0.687180 0.695332
H -0.768511 -2.484995 0.752528
H -0.252585 -1.139857 1.838856
H -1.332099 -0.485340 -1.811464
H -2.182718 -1.975755 -1.316276
H -3.073093 -0.405852 -1.380826
H -2.270671 1.254747 1.157355
H -2.626793 -1.329317 2.122017
H -3.633048 -1.452694 0.741860
H 3.412930 -1.064733 -0.565911
H 2.558645 0.433852 -1.074072
H 4.745330 0.997887 0.132966
H 3.326600 1.594289 1.049875
H 4.169916 0.103353 1.574474
H -1.309704 3.408145 0.977583
H -0.138664 3.688904 -0.300085


