%chk=000013072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013072

0 1
 O   -1.879900      0.2581000      0.9373000    
 O   -2.420000     -0.2784000      -1.259600    
 N   -3.954800     -0.5921000      0.4515000    
 C    2.784100     -0.8402000     -2.2200000E-02
 C    1.619000      0.1775000      2.8600000E-02
 C    3.934100     -0.3666000      0.8932000    
 C    3.302800     -0.9716000      -1.470700    
 C    2.380500      -2.255200      0.4476000    
 C   0.4004000     -0.2647000      0.4639000    
 C    1.873100       1.462500     -0.3639000    
 C  -0.6494000      0.6527000      0.5103000    
 C   0.8234000       2.379800     -0.3176000    
 C  -0.4377000       1.974900      0.1197000    
 C   -2.735900     -0.2172000     -7.5000003E-02
 C   -5.039700      -1.119600     -0.3430000    
 H    4.751500      -1.097000      0.9097000    
 H    4.364400      0.5851000      0.5629000    
 H    3.587300     -0.2311000       1.924500    
 H    2.498900      -1.275500      -2.151600    
 H    3.718300     -3.2000002E-02  -1.850900    
 H    4.098700      -1.722500      -1.538400    
 H    3.236900      -2.939300      0.3948000    
 H    2.042200      -2.262600       1.490500    
 H    1.596700      -2.691300     -0.1830000    
 H   0.1864000      -1.278100      0.7782000    
 H    2.845600       1.797100     -0.7070000    
 H   0.9878000       3.409500     -0.6217000    
 H   -1.250900       2.694900      0.1540000    
 H   -4.096900     -0.4921000       1.451900    
 H   -5.902300     -0.4598000     -0.2230000    
 H   -5.289100      -2.113200      3.7400000E-02
 H   -4.766300      -1.184400      -1.398700    


%chk=000013072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013072

0 1
O -2.094510 0.709260 0.071560
O -2.156414 -1.683711 0.102563
N -4.079854 -0.339518 0.187404
C 2.767481 -0.855637 -0.140300
C 1.665727 0.231550 -0.096507
C 3.723230 -0.670536 1.077121
C 3.581585 -0.705676 -1.461367
C 2.186276 -2.291584 -0.087219
C 0.289751 -0.107230 -0.032267
C 2.027855 1.605577 -0.122615
C -0.683460 0.917705 0.004921
C 1.043332 2.615807 -0.085478
C -0.325182 2.281354 -0.021187
C -2.724170 -0.564193 0.119387
C -5.047117 -1.437027 0.251446
H 4.523526 -1.433977 1.051259
H 4.203049 0.324562 1.074119
H 3.171916 -0.778127 2.029137
H 2.927592 -0.841877 -2.342096
H 4.053151 0.290299 -1.540318
H 4.383686 -1.466656 -1.503729
H 3.012715 -3.025371 -0.114053
H 1.610393 -2.466872 0.839815
H 1.524582 -2.499393 -0.947843
H -0.036271 -1.145934 -0.010191
H 3.083800 1.893794 -0.172677
H 1.339665 3.670388 -0.106381
H -1.107181 3.045521 0.009072
H -4.392748 0.631313 0.193732
H -5.741027 -1.410393 -0.608925
H -5.634628 -1.400502 1.187501
H -4.487550 -2.385317 0.223817


