%chk=000001515.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001515

0 1
 O    1.355900       2.599900     -0.4910000    
 O    2.320000     -0.5647000      -1.734600    
 O    4.753200      -1.019800      0.3502000    
 N    1.154100     -0.4880000       1.017700    
 N   -5.072400     -0.8144000     -0.3293000    
 C   0.3671000      0.6720000      0.5513000    
 C    2.546500     -0.1579000      0.6650000    
 C    1.099000       1.211900     -0.6885000    
 C    2.420300      0.4444000     -0.7355000    
 C   -1.069100      0.2796000      0.3191000    
 C    3.448300      -1.378900      0.7715000    
 C   -2.085200      0.8756000       1.066300    
 C   -1.382900     -0.6801000     -0.6435000    
 C   -3.414500      0.5119000      0.8513000    
 C   -2.712100      -1.043600     -0.8587000    
 C   -3.728000     -0.4477000     -0.1112000    
 H   0.4014000       1.430800       1.346200    
 H    2.913700      0.6231000       1.345300    
 H   0.5368000       1.103500      -1.622400    
 H    3.272400       1.086400     -0.9806000    
 H    1.055300     -0.6105000       2.024400    
 H    3.099400      -2.220100      0.1628000    
 H    3.509500      -1.723100       1.809200    
 H   0.4950000       3.048700     -0.4339000    
 H    1.617000      -1.182000      -1.471600    
 H   -1.857500       1.625100       1.819600    
 H  -0.6092000      -1.158900      -1.236100    
 H    4.721200     -0.8536000     -0.6072000    
 H   -4.197200      0.9838000       1.439900    
 H   -2.943800      -1.792800      -1.611600    
 H   -5.300300      -1.511500      -1.025600    
 H   -5.809000     -0.3840000      0.2139000    


%chk=000001515-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001515

0 1
O 1.233230 2.663852 -0.353272
O 2.640630 -0.357791 -1.729746
O 4.835352 -0.998625 -0.091932
N 1.224000 -0.668360 0.872960
N -5.204870 -0.668398 -0.428146
C 0.350617 0.518444 0.648468
C 2.624052 -0.170756 0.748610
C 1.088074 1.220309 -0.559408
C 2.504562 0.588985 -0.598656
C -1.104249 0.171196 0.402828
C 3.667944 -1.316363 0.732241
C -2.139652 0.976040 0.940234
C -1.476775 -0.929478 -0.412336
C -3.496969 0.711050 0.669723
C -2.826397 -1.214252 -0.686048
C -3.864289 -0.391864 -0.153998
H 0.415867 1.243794 1.496574
H 2.883985 0.576246 1.535328
H 0.560734 1.012058 -1.511278
H 3.278802 1.350424 -0.757607
H 1.005118 -1.202425 1.724151
H 3.167497 -2.245458 0.381678
H 4.071279 -1.495420 1.742940
H 0.334840 3.081768 -0.366383
H 1.995093 -1.094835 -1.554672
H -1.882849 1.821996 1.591791
H -0.690460 -1.578248 -0.815242
H 4.486778 -0.871961 -1.019225
H -4.277511 1.349965 1.101036
H -3.089127 -2.074888 -1.314112
H -5.464754 -1.456885 -1.012994
H -5.945649 -0.085021 -0.051107


