%chk=000129815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129815

0 1
 O  -0.5174000      -2.700800      0.9143000    
 O    4.418000      0.9070000     -0.5262000    
 N   -2.259700      5.7900000E-02 -0.7704000    
 N    2.415100       2.184300      0.9153000    
 C   -1.799100     -0.7505000      0.3603000    
 C  -0.6315000      -1.659100     -6.1400000E-02
 C   -1.374000      0.1424000       1.532200    
 C  -0.1799000       1.030600       1.180500    
 C   0.6942000     -0.9387000     -0.1807000    
 C   0.9146000      0.3061000      0.4380000    
 C   -3.392700      0.8818000     -0.3828000    
 C    2.167900      0.9260000      0.3116000    
 C    1.740300      -1.543600     -0.8970000    
 C    3.196600      0.3141000     -0.4035000    
 C   -4.532700      8.8999998E-03  0.1255000    
 C   -3.842700       1.754300      -1.548000    
 C    2.982900     -0.9208000      -1.007400    
 H   -2.593500      -1.422400      0.7037000    
 H  -0.8647000      -2.143900      -1.018500    
 H   -1.069400     -0.5166000       2.358700    
 H   -2.186700      0.7387000       1.957200    
 H   0.2031000       1.430000       2.127100    
 H  -0.5173000       1.876800      0.5698000    
 H   -2.520200     -0.5533000      -1.543900    
 H   -3.120800       1.601800      0.3948000    
 H    1.589600      -2.510300      -1.371800    
 H   -1.332900      -3.229300      0.8777000    
 H   -4.352100     -0.3857000       1.130100    
 H   -4.742100     -0.8281000     -0.5508000    
 H   -5.455800      0.5965000      0.1980000    
 H   -4.184200       1.147800      -2.394500    
 H   -4.669200       2.408900      -1.250300    
 H   -3.024400       2.393100      -1.898900    
 H    3.773800      -1.412100      -1.567800    
 H    3.322100       2.616600      0.7937000    
 H    1.676800       2.711400       1.358500    
 H    4.998600      0.3340000      -1.056000    


%chk=000129815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129815

0 1
O -0.392311 -2.806640 1.010378
O 4.341138 1.081559 -0.665123
N -2.265942 0.044332 -0.565349
N 2.417336 2.228147 0.796810
C -1.802915 -0.813216 0.543612
C -0.638361 -1.704273 0.039766
C -1.296646 0.015976 1.743494
C -0.174258 0.980552 1.313921
C 0.674686 -0.963671 -0.135827
C 0.894987 0.301577 0.471407
C -3.468461 0.891127 -0.366751
C 2.135478 0.970890 0.260804
C 1.682767 -1.565187 -0.923914
C 3.138755 0.338308 -0.525953
C -4.768957 0.096812 -0.056980
C -3.648362 1.777221 -1.616833
C 2.923901 -0.919549 -1.113955
H -2.603317 -1.506287 0.914363
H -0.935039 -2.157246 -0.935583
H -0.913942 -0.701151 2.494598
H -2.123854 0.579961 2.214357
H 0.280174 1.425762 2.224058
H -0.615928 1.813360 0.727460
H -2.306734 -0.462984 -1.460497
H -3.259792 1.555835 0.495558
H 1.502366 -2.547153 -1.373680
H -1.215628 -3.360964 1.058622
H -4.648104 -0.552090 0.830197
H -5.046937 -0.542521 -0.917199
H -5.611956 0.784632 0.143839
H -3.837676 1.154265 -2.513747
H -4.506526 2.463152 -1.498655
H -2.736999 2.372055 -1.800595
H 3.709810 -1.389320 -1.719726
H 3.327317 2.640604 0.611223
H 1.723006 2.748326 1.320364
H 4.997523 0.581601 -1.207364


