%chk=000047616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047616

0 1
 O   0.5046000      -1.124900     -0.1927000    
 O   -1.171400      -2.307000      0.8528000    
 N   -3.604000      -1.428600     -4.9500000E-02
 C    2.744800      -1.876500     -0.6583000    
 C    1.390400      -2.228300     -5.4600000E-02
 C    3.381000     -0.7108000      4.5100000E-02
 C   -1.573000     -8.0899999E-02  9.8999999E-02
 C    4.342700       1.602600      0.1407000    
 C    3.699700      0.4428000     -0.5603000    
 C   -2.940100     -0.1815000     -6.8000004E-02
 C  -0.7502000      -1.299300      0.3062000    
 C  -0.9218000       1.137900      8.0700003E-02
 C   -3.686000      0.9814000     -0.2608000    
 C    3.300600       2.549900      0.7146000    
 C   -1.667600       2.300700     -0.1121000    
 C   -3.049700       2.222500     -0.2829000    
 H    3.414000      -2.741100     -0.5861000    
 H    2.616000      -1.649100      -1.723600    
 H   0.9752000      -3.095500     -0.5814000    
 H    1.501200      -2.480600       1.007300    
 H    3.603600     -0.8368000       1.101900    
 H    4.993900       1.246800      0.9481000    
 H    4.986100       2.136800     -0.5675000    
 H    3.473400      0.5752000      -1.615300    
 H   0.1502000       1.232600      0.2265000    
 H   -4.763800      0.9351000     -0.3950000    
 H    3.790200       3.397600       1.204400    
 H    2.672200       2.047800       1.458100    
 H    2.648100       2.944500     -7.1800001E-02
 H   -1.172700       3.267500     -0.1257000    
 H   -3.630300       3.128100     -0.4322000    
 H   -3.088000      -2.288500      7.4199997E-02
 H   -4.606900      -1.464200     -0.1771000    


%chk=000047616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047616

0 1
O 0.506182 -1.123603 -0.449648
O -1.199979 -2.487070 0.346487
N -3.635075 -1.392784 0.611798
C 2.813980 -1.814623 -0.781423
C 1.422578 -2.290872 -0.342802
C 3.420389 -0.781286 0.146314
C -1.658458 -0.140542 -0.162149
C 4.432235 1.498256 0.689198
C 3.843660 0.451282 -0.233694
C -3.060530 -0.214791 0.179081
C -0.814507 -1.341504 -0.055600
C -1.107296 1.099479 -0.597569
C -3.850623 0.973032 0.056596
C 3.590660 2.801463 0.710104
C -1.898106 2.252590 -0.708456
C -3.279903 2.177012 -0.378022
H 3.459986 -2.717820 -0.817876
H 2.756551 -1.416969 -1.811673
H 1.039801 -3.100300 -0.991162
H 1.414830 -2.653293 0.702097
H 3.507512 -1.072729 1.205805
H 4.513680 1.089163 1.714569
H 5.463169 1.747113 0.361734
H 3.737767 0.744539 -1.291347
H -0.041490 1.125679 -0.842377
H -4.916658 0.927527 0.310913
H 4.050947 3.560933 1.368677
H 2.567270 2.599909 1.074456
H 3.509310 3.235921 -0.303996
H -1.459562 3.197428 -1.043640
H -3.910288 3.070152 -0.461165
H -3.031926 -2.220265 0.693774
H -4.623708 -1.426826 0.845695


