%chk=000068767.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068767

0 1
 O   0.3199000      0.8143000       1.872300    
 O    1.601300      -1.646800      -1.114100    
 N  -0.3245000     -3.0200001E-02 -0.2294000    
 N    3.763300     -0.8677000     -0.9227000    
 C   -1.739300     -1.4100000E-02 -0.1676000    
 C   -2.412200      -1.127800      0.3110000    
 C   -2.425900       1.114800     -0.5874000    
 C   -3.805700      -1.112400      0.3712000    
 C   -3.819400       1.130400     -0.5270000    
 C   -4.509200      1.6799999E-02 -4.7699999E-02
 C   -1.686600      -2.352300      0.7670000    
 C   -1.715500       2.323300      -1.105300    
 C   0.5732000      0.3682000      0.7530000    
 C    1.966600      0.2061000      0.3306000    
 C    2.407000     -0.8548000     -0.6313000    
 C    2.874600       1.054500      0.8381000    
 C    4.267800      0.9617000      0.4734000    
 C    4.664600      1.5900001E-02 -0.3844000    
 H   3.7099998E-02 -0.2679000      -1.150300    
 H   -4.359200      -1.970800      0.7425000    
 H   -4.383700       2.001900     -0.8483000    
 H   -5.594300      2.8999999E-02 -3.9999999E-04
 H   -1.049500      -2.742500     -3.3500001E-02
 H   -2.377300      -3.154500       1.049100    
 H   -1.070200      -2.127300       1.643500    
 H   -1.115900       2.782400     -0.3125000    
 H   -2.415600       3.082900      -1.470000    
 H   -1.063700       2.057500      -1.944200    
 H    2.611000       1.846100       1.532400    
 H    4.118700      -1.565900      -1.569100    
 H    4.969400       1.665600      0.9049000    
 H    5.694800     -0.1022000     -0.6948000    


%chk=000068767-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068767

0 1
O 0.295894 0.133306 1.986027
O 1.621943 0.151414 -2.137979
N -0.348775 -0.005034 -0.278467
N 3.807894 0.143322 -1.353482
C -1.776303 -0.001405 -0.137006
C -2.446963 -0.945985 0.695457
C -2.503534 0.946721 -0.921102
C -3.862138 -0.884917 0.763350
C -3.914076 0.960735 -0.833208
C -4.594654 0.058259 0.013697
C -1.699153 -2.020721 1.455568
C -1.774895 1.934398 -1.815666
C 0.579917 0.073059 0.746135
C 2.023794 0.088518 0.291481
C 2.406686 0.126196 -1.119941
C 3.011922 0.088108 1.280174
C 4.403956 0.110175 0.962896
C 4.777970 0.136724 -0.374252
H 0.058536 0.063822 -1.234289
H -4.389056 -1.602839 1.402840
H -4.478169 1.691458 -1.424561
H -5.688123 0.083335 0.079088
H -0.936419 -2.505026 0.816955
H -2.392062 -2.798543 1.819501
H -1.158804 -1.584206 2.315460
H -1.032394 2.522754 -1.244606
H -2.486229 2.637004 -2.281368
H -1.220516 1.431298 -2.631713
H 2.664542 0.073123 2.319657
H 4.065545 0.167609 -2.346108
H 5.166846 0.107267 1.743308
H 5.818417 0.154270 -0.708845


