%chk=000146849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146849

0 1
 O    3.943100     -0.4216000      0.5577000    
 O   -2.229100     -3.7200000E-02 -0.3562000    
 O   -5.749000      0.2246000     -0.2385000    
 O   -4.136800       1.596100      0.6542000    
 N   -3.595700     -0.2675000     -0.5954000    
 C  -8.9199997E-02  -1.055700     -0.1426000    
 C    4.636100      0.4279000     -0.3556000    
 C    5.780900       1.109100      0.3784000    
 C    2.618000     -0.6292000      0.3270000    
 C   0.3969000      -1.088800       1.159500    
 C   0.7648000     -0.8115000      -1.212200    
 C    1.755100     -0.8749000       1.395000    
 C    2.122800     -0.5976000     -0.9766000    
 C   -1.550100      -1.284900     -0.3963000    
 C    6.557600       2.044300     -0.5308000    
 C   -4.460300      0.6099000       0.000000    
 C   -6.765000       1.057000      0.3324000    
 H    5.025200     -0.1782000      -1.181900    
 H    3.978400       1.211000     -0.7549000    
 H    5.388000       1.666800       1.237000    
 H    6.453800      0.3501000      0.7950000    
 H  -0.2668000      -1.276900       1.998900    
 H   0.3899000     -0.7885000      -2.231700    
 H    2.135100     -0.9001000       2.412600    
 H    2.764400     -0.4369000      -1.837800    
 H   -1.689800      -1.759700      -1.376300    
 H   -1.964100      -1.962300      0.3619000    
 H    5.912100       2.836100     -0.9240000    
 H    7.375900       2.517000      2.1299999E-02
 H    6.988900       1.500200      -1.377100    
 H   -3.866800      -1.102300      -1.102800    
 H   -6.674900       1.070200       1.422700    
 H   -6.696700       2.070400     -7.4600004E-02
 H   -7.738200      0.6364000      6.5600000E-02


%chk=000146849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146849

0 1
O 3.686758 0.576613 0.722739
O -2.429595 0.486124 -0.861281
O -5.968165 0.262440 -0.264966
O -4.219953 -0.187728 1.264977
N -3.839206 0.234720 -1.026209
C -0.267974 -0.482540 -0.375005
C 4.790259 0.529196 -0.255627
C 6.057328 0.983322 0.472804
C 2.405070 0.213761 0.288591
C 0.064370 -0.050983 0.938975
C 0.759407 -0.553223 -1.343864
C 1.383906 0.295032 1.271411
C 2.093628 -0.213597 -1.027085
C -1.688716 -0.834487 -0.713643
C 7.284598 0.979375 -0.464896
C -4.619352 0.094732 0.110080
C -6.941408 0.003456 0.817081
H 4.903096 -0.506276 -0.640672
H 4.560169 1.201914 -1.108585
H 5.889311 1.997393 0.880523
H 6.231652 0.314685 1.336129
H -0.726753 0.019267 1.694172
H 0.518718 -0.876705 -2.363998
H 1.652205 0.629629 2.277989
H 2.866282 -0.282989 -1.797965
H -1.775937 -1.387012 -1.667538
H -2.188170 -1.391055 0.098853
H 7.137582 1.660428 -1.324229
H 8.189208 1.310832 0.074515
H 7.484068 -0.032627 -0.864816
H -4.228631 0.623905 -1.887546
H -6.882336 -1.048124 1.146510
H -6.745301 0.664484 1.677864
H -7.921622 0.219339 0.368611


