%chk=000049248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049248

0 1
 O   0.3096000      0.3668000       2.384700    
 O    1.191300      0.9334000      -2.304800    
 O    2.284100      -2.934700     -0.1049000    
 N    1.289800      -1.261100       1.111200    
 N    1.722400     -0.9838000      -1.175700    
 C   0.6234000      0.8536000      4.0899999E-02
 C    1.298900       2.201600      0.3267000    
 C  -0.8478000       1.033700     -0.2087000    
 C   0.7221000     -1.1200000E-02   1.286100    
 C    1.200100      0.2955000      -1.250000    
 C    2.765600       2.018700      0.6542000    
 C   -1.696400      2.0300001E-02 -0.4347000    
 C   -3.164500      0.2017000     -0.6897000    
 C    1.797100      -1.803600     -5.9799999E-02
 C   -4.003700     -0.5671000      0.3312000    
 C   -5.492000     -0.3637000      9.3300000E-02
 H   0.8142000       2.711000       1.170200    
 H    1.209800       2.877800     -0.5336000    
 H   -1.240500       2.048400     -0.2040000    
 H    3.226900       2.996800      0.8297000    
 H    2.919100       1.426300       1.561200    
 H    3.316200       1.545700     -0.1646000    
 H   -1.328000      -1.002300     -0.4570000    
 H   -3.435400       1.264300     -0.6653000    
 H   -3.388800     -0.1612000      -1.699900    
 H    1.346300      -1.848100       1.938800    
 H    2.098400      -1.366000      -2.039100    
 H   -3.774500      -1.638300      0.2776000    
 H   -3.755700     -0.2357000       1.347100    
 H   -6.073900     -0.9234000      0.8323000    
 H   -5.762300      0.6937000      0.1784000    
 H   -5.781100     -0.7137000     -0.9028000    


%chk=000049248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049248

0 1
O 0.537141 -0.455339 2.181424
O 1.566856 1.302551 -2.229742
O 3.073871 -2.874472 -0.861132
N 1.742395 -1.641507 0.613246
N 2.272826 -0.778852 -1.519968
C 0.689640 0.539276 -0.063180
C 0.893722 1.967099 0.553794
C -0.773409 0.411457 -0.550870
C 0.979198 -0.524875 1.005432
C 1.546617 0.412120 -1.342144
C 2.344489 2.268833 0.982553
C -1.779782 -0.270955 0.050521
C -3.205358 -0.297561 -0.456411
C 2.404794 -1.842224 -0.610357
C -4.219853 0.258092 0.581154
C -5.678322 0.156691 0.086361
H 0.213652 2.035760 1.420631
H 0.561971 2.700202 -0.202663
H -0.964239 0.987671 -1.467837
H 2.406022 3.285062 1.410644
H 2.696586 1.563501 1.757616
H 3.040140 2.230160 0.124350
H -1.589955 -0.822633 0.983107
H -3.288749 0.274517 -1.400926
H -3.489999 -1.345584 -0.690575
H 1.871425 -2.381290 1.311694
H 2.778859 -0.887018 -2.405282
H -4.108280 -0.297470 1.533745
H -3.967682 1.313239 0.802991
H -6.384418 0.561120 0.834117
H -5.820226 0.723162 -0.853197
H -5.959231 -0.895336 -0.110096


