%chk=000095445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095445

0 1
 O   0.3611000       1.673200       1.352900    
 O    3.983400     -0.9725000      0.5633000    
 O  -9.3900003E-02  -2.416700     -0.9057000    
 N  -1.5600000E-02 -0.2909000      0.1132000    
 N    1.885100      -1.705000     -4.1099999E-02
 C    2.244500      0.6585000      0.3217000    
 C    2.489600       1.299600      -1.041400    
 C   0.7730000      0.7438000      0.6557000    
 C    2.800100     -0.7370000      0.3279000    
 C   0.5252000      -1.531500     -0.3090000    
 C   -1.448700     -9.5200002E-02  5.9099998E-02
 C    1.973000       2.724800      -1.083600    
 C   -1.961500       1.188700     -8.0100000E-02
 C   -2.295700      -1.193300      0.1475000    
 C   -3.342700       1.377400     -0.1318000    
 C   -3.676700      -1.004600      9.5600002E-02
 C   -4.200200      0.2807000     -4.4199999E-02
 H    2.783600       1.213700       1.101100    
 H    2.013900      0.7214000      -1.843400    
 H    3.565300       1.300800      -1.257000    
 H    2.256000      -2.639400     -0.1901000    
 H   0.8805000       2.769000      -1.072700    
 H    2.358200       3.316100     -0.2467000    
 H    2.301000       3.208700      -2.009900    
 H   -1.337100       2.066100     -0.2100000    
 H   -1.951500      -2.204100      0.3344000    
 H   -3.750800       2.376700     -0.2528000    
 H   -4.345700      -1.856000      0.1811000    
 H   -5.275600      0.4278000     -8.3400004E-02


%chk=000095445-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095445

0 1
O 0.191887 1.627182 1.199768
O 3.979888 -1.092756 0.183842
O -0.277535 -2.475165 -1.035079
N -0.096251 -0.349763 -0.023286
N 1.828688 -1.726909 -0.409530
C 2.212324 0.601910 0.309534
C 2.597669 1.518147 -0.917757
C 0.710847 0.675153 0.566710
C 2.765395 -0.791992 0.056931
C 0.430339 -1.568564 -0.534984
C -1.548624 -0.187049 -0.017108
C 2.381006 3.019779 -0.650587
C -2.120641 0.880396 -0.741487
C -2.357534 -1.081958 0.714580
C -3.521091 1.054887 -0.730387
C -3.758202 -0.906262 0.714867
C -4.342317 0.161682 -0.004415
H 2.721107 1.014680 1.197561
H 2.021926 1.193650 -1.806960
H 3.665007 1.322062 -1.130299
H 2.182097 -2.646426 -0.695018
H 1.333732 3.247599 -0.389661
H 3.013818 3.367072 0.185979
H 2.651762 3.604154 -1.548469
H -1.478469 1.569366 -1.299581
H -1.900825 -1.909310 1.266270
H -3.968504 1.884184 -1.288401
H -4.390381 -1.601587 1.277068
H -5.429317 0.296639 0.000498


