%chk=000121487.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121487

0 1
 O    3.523300      -2.036500      5.4299999E-02
 O  -0.3386000     -0.9545000     -0.3008000    
 N    1.633000       1.883300      5.1199999E-02
 C    2.001500     -0.5480000     -4.4399999E-02
 C    2.440900      -1.754600     -0.8618000    
 C    3.219000     -0.8475000      0.8185000    
 C    2.071400      0.7692000     -0.7889000    
 C   0.6807000     -0.7205000      0.6622000    
 C    1.709500       3.142300     -0.6890000    
 C    2.441700       1.955500       1.267500    
 C   -1.603400     -0.5394000      2.5000000E-02
 C   -2.493200     -0.1419000     -0.9675000    
 C   -1.982700     -0.5222000       1.363200    
 C   -3.776700      0.2774000     -0.6178000    
 C   -2.096700     -0.1563000      -2.406900    
 C   -3.266400     -0.1030000       1.712800    
 C   -4.163300      0.2968000      0.7224000    
 H    1.742000      -2.595300     -0.9143000    
 H    2.823100      -1.547800      -1.866800    
 H    4.065900     -0.1574000      0.7643000    
 H    3.030000      -1.098000       1.867300    
 H    1.413000      0.7150000      -1.666300    
 H    3.084300      0.9442000      -1.178100    
 H   0.4501000      0.1274000       1.313700    
 H   0.7187000      -1.609000       1.307100    
 H    1.082400       3.099800      -1.586600    
 H    2.734300       3.382700     -0.9948000    
 H    1.327500       3.970500     -8.1600003E-02
 H    3.514800       2.020700       1.054700    
 H    2.250400       1.151100       1.980100    
 H    2.179200       2.864700       1.824300    
 H   -1.333400     -0.8596000       2.165200    
 H   -4.488000      0.5918000      -1.377100    
 H   -1.249300      0.5170000      -2.573500    
 H   -1.815800      -1.169200      -2.713900    
 H   -2.912600      0.1714000      -3.059900    
 H   -3.571000     -9.5899999E-02   2.755300    
 H   -5.163400      0.6213000      0.9946000    


%chk=000121487-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121487

0 1
O 3.163563 -2.372470 0.096388
O -0.381352 -0.395630 -0.341379
N 2.073770 2.032039 0.189492
C 1.996466 -0.497961 0.018064
C 2.208691 -1.744870 -0.897751
C 3.135018 -1.101318 0.908062
C 2.262298 0.852807 -0.682516
C 0.635847 -0.503142 0.720127
C 1.840338 3.272402 -0.577955
C 3.122761 2.192705 1.214222
C -1.732856 -0.324893 0.044415
C -2.662758 -0.209306 -1.031507
C -2.169533 -0.370301 1.389640
C -4.036572 -0.141421 -0.709439
C -2.168709 -0.162788 -2.462979
C -3.552133 -0.298843 1.677534
C -4.490867 -0.184383 0.631315
H 1.323213 -2.379890 -1.067092
H 2.720049 -1.531257 -1.855779
H 4.102823 -0.570545 0.839580
H 2.888029 -1.308730 1.966344
H 1.537443 0.935916 -1.513569
H 3.288619 0.822897 -1.134930
H 0.558760 0.370934 1.396180
H 0.486499 -1.447328 1.283584
H 0.975061 3.134331 -1.249760
H 2.717239 3.586279 -1.198628
H 1.604059 4.098443 0.116705
H 4.150808 2.296313 0.781998
H 3.128647 1.329077 1.902109
H 2.912013 3.094874 1.815344
H -1.452205 -0.459678 2.210325
H -4.762414 -0.053531 -1.527007
H -1.499628 0.702762 -2.626651
H -1.578137 -1.063930 -2.711790
H -3.012665 -0.090184 -3.169941
H -3.887655 -0.333931 2.720062
H -5.562333 -0.129950 0.850883


