%chk=000040632.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040632

0 1
 O   0.3145000       2.412200     -0.3762000    
 N   0.3897000      7.3600002E-02 -3.0000000E-03
 C   -1.049500     -0.1046000      1.3800000E-02
 C    1.240900      -1.027800      0.1157000    
 C    2.578300     -0.9247000      0.1166000    
 C   0.9365000       1.371000     -0.1647000    
 C    3.180100      0.3775000     -3.0000000E-03
 C    2.426000       1.472300     -0.1261000    
 C   -1.603000      -1.285700     -0.4687000    
 C   -1.863500      0.9067000      0.5125000    
 C    3.493900      -2.100100      0.2599000    
 C   -2.987100      -1.457600     -0.4522000    
 C   -3.247600      0.7347000      0.5290000    
 C   -3.809300     -0.4475000      4.6599999E-02
 H   0.7842000      -2.001500      0.2512000    
 H    4.261800      0.4594000      1.4800000E-02
 H    2.871000       2.456600     -0.2187000    
 H   -1.003900      -2.081900     -0.8997000    
 H   -1.472300       1.816600      0.9545000    
 H    2.939800      -3.040300      0.3532000    
 H    4.120000      -1.995000       1.152400    
 H    4.147900      -2.187300     -0.6144000    
 H   -3.425700      -2.374600     -0.8349000    
 H   -3.887800       1.515100      0.9299000    
 H   -4.886900     -0.5819000      6.0800001E-02


%chk=000040632-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040632

0 1
O 0.215756 2.457237 -0.446405
N 0.416358 0.127618 0.000561
C -1.024196 -0.061169 0.009480
C 1.233182 -0.982490 0.222120
C 2.617233 -0.924378 0.171292
C 0.968799 1.447986 -0.275728
C 3.208509 0.353765 -0.132729
C 2.424189 1.475012 -0.343862
C -1.580873 -1.163629 -0.684331
C -1.863892 0.834552 0.713422
C 3.472084 -2.147055 0.437560
C -2.974992 -1.384001 -0.653612
C -3.256823 0.609501 0.731953
C -3.818053 -0.498613 0.055462
H 0.708115 -1.908234 0.472375
H 4.301199 0.435326 -0.188864
H 2.860158 2.451079 -0.573567
H -0.931717 -1.826719 -1.266953
H -1.431358 1.697706 1.222478
H 2.853996 -3.034867 0.657025
H 4.146494 -1.987645 1.300023
H 4.109414 -2.389245 -0.433975
H -3.400252 -2.235651 -1.195543
H -3.904795 1.303991 1.277333
H -4.900534 -0.664878 0.073786


