%chk=000046612.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046612

1 1
 O    2.339300       1.920700     -5.0000002E-04
 N   -2.133300      7.1599998E-02  1.9999999E-04
 C  -0.6148000     -0.1203000     -7.9999998E-04
 C   -2.709800     -0.5835000       1.252100    
 C   -2.709700     -0.5661000      -1.260900    
 C   -2.528900       1.546700      9.9999998E-03
 C   0.1454000       1.001000       0.000000    
 C  -0.1587000      -1.395900     -8.9999998E-04
 C    1.529000      0.8254000      6.0000003E-04
 C    2.069000     -0.4606000      3.0000001E-04
 C    1.225100      -1.571300     -5.0000002E-04
 C    3.547500     -0.6677000      3.9999999E-04
 H   -2.565500      -1.666400       1.208000    
 H   -2.216000     -0.1563000       2.130800    
 H   -3.783100     -0.3693000       1.283600    
 H   -2.560200      -1.648900      -1.233500    
 H   -3.783800     -0.3556000      -1.287200    
 H   -2.218600     -0.1237000      -2.133500    
 H   -2.166000       2.031800     -0.9022000    
 H   -3.623800       1.597700      1.2900000E-02
 H   -2.161000       2.020700      0.9260000    
 H  -0.2117000       2.021400     -3.9999999E-04
 H  -0.7925000      -2.274100     -2.4999999E-03
 H    1.629600      -2.580000     -1.0000000E-03
 H    3.999100     -0.2265000      0.8951000    
 H    3.806600      -1.732400      1.2000001E-03
 H    3.998800     -0.2277000     -0.8951000    
 H    3.274200       1.663200     -3.0000001E-04


%chk=000046612-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046612

1 1
O 2.361627 1.958587 0.006939
N -2.184354 0.086922 0.000548
C -0.664140 -0.099783 0.000107
C -2.780367 -0.572175 1.253682
C -2.779707 -0.561825 -1.258297
C -2.599535 1.557902 0.006517
C 0.190860 1.014186 0.003844
C -0.151392 -1.416078 -0.004313
C 1.589977 0.800949 0.003117
C 2.151003 -0.508826 -0.001246
C 1.248843 -1.597043 -0.004871
C 3.653375 -0.703226 -0.001922
H -2.545112 -1.644700 1.249053
H -2.333290 -0.101392 2.141394
H -3.871774 -0.425995 1.247106
H -2.543743 -1.634189 -1.262743
H -3.871198 -0.416361 -1.250715
H -2.332737 -0.083166 -2.141848
H -2.211077 2.054257 -0.894155
H -3.699243 1.601423 0.006366
H -2.211614 2.046749 0.911527
H -0.147759 2.051431 0.007316
H -0.796945 -2.299552 -0.007340
H 1.648585 -2.616262 -0.008264
H 4.128733 -0.259487 0.895086
H 3.915368 -1.772803 -0.004825
H 4.128536 -0.254627 -0.896611
H 3.333279 1.768985 0.006448


