%chk=000046554.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046554

0 1
 O    4.204200       2.045400      0.7388000    
 N   0.7102000      0.9417000      0.1077000    
 C    1.900000       1.792800     -1.8500000E-02
 C    3.053700       1.199900      0.8216000    
 C    2.249300       1.898600      -1.504200    
 C  -0.3928000       1.496100     -0.6726000    
 C    3.490200     -0.1771000      0.3689000    
 C   0.3322000      0.8070000       1.511900    
 C    2.880800      -1.292400      0.9167000    
 C    4.488500     -0.2903000     -0.5828000    
 C   -1.608300      0.6195000     -0.6073000    
 C    3.282800      -2.561300      0.4996000    
 C    4.890300      -1.559300     -0.9998000    
 C   -2.792200       1.037000     -0.1315000    
 C    4.287400      -2.694800     -0.4586000    
 C   -4.015900      0.2210000     -6.2700003E-02
 C   -3.914800      -1.160600     -0.1081000    
 C   -5.246600      0.8495000      4.6100002E-02
 C   -5.074000      -1.933600     -4.3200001E-02
 C   -6.405700      7.6200001E-02  0.1112000    
 C   -6.319400      -1.315300      6.6500001E-02
 H    1.701600       2.809700      0.3489000    
 H    2.839800       1.183100       1.893200    
 H    3.259100       2.301900      -1.640200    
 H    2.208600      0.9339000      -2.022800    
 H    1.593200       2.601000      -2.030100    
 H  -0.1581000       1.536300      -1.741200    
 H  -0.6296000       2.520500     -0.3552000    
 H   1.9000000E-03   1.767500       1.928600    
 H    1.085400      0.4193000       2.193500    
 H  -0.4959000      9.7700000E-02   1.626800    
 H    2.124200      -1.236400       1.686900    
 H    4.971400      0.5734000      -1.029300    
 H   -1.479400     -0.3819000      -1.008400    
 H    3.938600       2.931700       1.038500    
 H    2.819300      -3.446000      0.9265000    
 H    5.671400      -1.663700      -1.747200    
 H   -2.885500       2.058700      0.2303000    
 H    4.601300      -3.682800     -0.7823000    
 H   -2.966400      -1.684800     -0.1702000    
 H   -5.330400       1.932400      8.0799997E-02
 H   -5.007200      -3.017300     -7.2600000E-02
 H   -7.375600      0.5575000      0.1966000    
 H   -7.221900      -1.917300      0.1185000    


%chk=000046554-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046554

0 1
O 4.387061 1.817479 1.032787
N 0.693251 1.374586 0.453162
C 2.057967 1.899286 0.156073
C 3.134130 1.045914 0.935135
C 2.418581 1.986415 -1.336771
C -0.334838 1.462722 -0.615752
C 3.464027 -0.287489 0.278272
C 0.180737 1.864717 1.750645
C 2.506096 -1.334232 0.291064
C 4.712027 -0.502360 -0.356500
C -1.485656 0.515586 -0.351820
C 2.788444 -2.570061 -0.333211
C 4.994983 -1.741269 -0.975608
C -2.799418 0.878713 -0.371789
C 4.034430 -2.778883 -0.970034
C -3.974290 0.006336 -0.164976
C -3.874986 -1.395657 0.071697
C -5.274065 0.586696 -0.198254
C -5.029284 -2.178536 0.271185
C -6.431432 -0.196279 -0.000135
C -6.315102 -1.584901 0.236934
H 2.142208 2.940476 0.574441
H 2.737862 0.854874 1.954786
H 3.477417 2.289434 -1.419750
H 2.314328 1.011522 -1.843335
H 1.805412 2.736527 -1.866253
H 0.141568 1.173495 -1.569233
H -0.730957 2.502054 -0.747916
H -0.014327 2.967026 1.746126
H 0.903308 1.652787 2.558105
H -0.763964 1.352291 1.998905
H 1.539054 -1.163955 0.776559
H 5.454244 0.300339 -0.342572
H -1.185296 -0.522239 -0.148777
H 4.185142 2.691555 1.452531
H 2.040540 -3.371479 -0.316733
H 5.966727 -1.897525 -1.458487
H -3.031881 1.938536 -0.562149
H 4.256010 -3.739937 -1.448397
H -2.890837 -1.876653 0.097600
H -5.371729 1.664445 -0.380917
H -4.930943 -3.255108 0.451960
H -7.420531 0.274490 -0.030502
H -7.210321 -2.197340 0.391203


