%chk=000052963.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052963

0 1
 O   -1.687100     -0.4686000      -1.911900    
 N    2.454100       1.939800      2.9100001E-02
 C    1.091200     -0.1420000      0.1973000    
 C    1.120700       1.333300     -0.1308000    
 C    3.601600     -0.2295000     -6.1400000E-02
 C    3.458600       1.155700     -0.7000000    
 C    2.275100     -0.8993000      0.1864000    
 C  -0.1321000     -0.7768000      0.4519000    
 C    2.223200      -2.270900      0.4667000    
 C    2.441700       3.326800     -0.4342000    
 C   -1.390400     -5.3199999E-02  0.4368000    
 C  -0.1747000      -2.144700      0.7203000    
 C    1.002000      -2.890400      0.7302000    
 C   -2.124400      7.5999998E-02 -0.7408000    
 C   -1.859300      0.5143000       1.620200    
 C   -3.331400      0.7750000     -0.7351000    
 C   -3.066400       1.213400       1.626000    
 C   -3.802500       1.343700      0.4483000    
 C   -2.099800      -1.802700      -2.198800    
 H   0.7616000       1.460300      -1.161100    
 H   0.4438000       1.873700      0.5400000    
 H    4.120900     -0.1366000      0.9010000    
 H    4.218600     -0.8574000     -0.7152000    
 H    4.436900       1.650500     -0.6621000    
 H    3.184600       1.059200      -1.759400    
 H    3.134800      -2.862800      0.4814000    
 H    3.417100       3.796300     -0.2653000    
 H    1.709000       3.914600      0.1299000    
 H    2.201300       3.406300      -1.500600    
 H   -1.116200      -2.648700      0.9264000    
 H   0.9686000      -3.954900      0.9434000    
 H   -1.298200      0.4231000       2.547200    
 H   -3.910000      0.8816000      -1.648700    
 H   -3.433100       1.656500       2.547300    
 H   -4.742100       1.888300      0.4528000    
 H   -2.383600      -2.359100      -1.299600    
 H   -1.272900      -2.322200      -2.690800    
 H   -2.951900      -1.770400      -2.884300    


%chk=000052963-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052963

0 1
O -1.486967 0.225061 -1.896159
N 2.399276 1.819615 -0.283302
C 1.030104 -0.223754 0.209120
C 1.044072 1.219567 -0.280304
C 3.567338 -0.332952 -0.108361
C 3.372909 0.933900 -0.957865
C 2.240028 -0.968074 0.286950
C -0.198222 -0.838099 0.605755
C 2.218580 -2.302323 0.763737
C 2.376715 3.184595 -0.840150
C -1.507875 -0.105541 0.571511
C -0.188889 -2.167046 1.103012
C 1.013356 -2.902028 1.180484
C -2.104065 0.385554 -0.627156
C -2.210007 0.114808 1.787856
C -3.321354 1.102725 -0.599274
C -3.432078 0.821233 1.823847
C -3.985521 1.328559 0.625653
C -1.454283 -1.157269 -2.415232
H 0.582194 1.248112 -1.300269
H 0.394251 1.834967 0.370926
H 4.120315 -0.053494 0.809737
H 4.190803 -1.068331 -0.653869
H 4.332420 1.473942 -1.057969
H 3.034671 0.656956 -1.991409
H 3.158818 -2.865954 0.813742
H 3.383217 3.633999 -0.767387
H 1.678893 3.811939 -0.256404
H 2.053657 3.222136 -1.912210
H -1.135491 -2.624719 1.412609
H 1.006681 -3.931374 1.555575
H -1.763991 -0.254671 2.718465
H -3.728286 1.467845 -1.547809
H -3.940976 0.983619 2.780133
H -4.927818 1.887277 0.642719
H -0.905043 -1.833308 -1.734984
H -0.933327 -1.095341 -3.383021
H -2.484808 -1.533934 -2.566196


