%chk=000137479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137479

0 1
 O    2.231900      0.3916000       0.000000    
 O    1.661700      -1.828900     -1.9999999E-04
 N  -0.4275000       1.119800     -7.9999998E-04
 C   -2.304900     -6.6399999E-02   0.000000    
 C   -1.205600     -0.9602000     -3.0000001E-04
 C   -1.794700       1.213100     -1.9999999E-04
 C  -5.7200000E-02 -0.1998000     -3.0000001E-04
 C   -3.735700     -0.4345000      8.9999998E-04
 C   -1.279500      -2.436500      1.9999999E-04
 C   -2.468400       2.525900      9.9999997E-05
 C    1.304800     -0.6347000     -3.0000001E-04
 C    3.616600      2.6300000E-02  3.0000001E-04
 C    4.458500       1.284300      6.0000003E-04
 H   0.2119000       1.903200     -1.2000001E-03
 H   -3.979200      -1.026900      0.8890000    
 H   -4.387700      0.4446000      1.0000000E-03
 H   -3.980200      -1.027400     -0.8866000    
 H  -0.7892000      -2.847100      0.8891000    
 H   -2.312000      -2.798800       0.000000    
 H  -0.7886000      -2.847800     -0.8881000    
 H   -1.751800       3.353800     -1.9999999E-04
 H   -3.101400       2.631900     -0.8867000    
 H   -3.100700       2.631900      0.8875000    
 H    3.835200     -0.5676000      0.8945000    
 H    3.835600     -0.5674000     -0.8939000    
 H    5.524800       1.041500      6.0000003E-04
 H    4.235400       1.897500     -0.8787000    
 H    4.235200       1.897100      0.8802000    


%chk=000137479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137479

0 1
O 2.228199 0.391951 0.000541
O 1.762975 -1.914786 0.000625
N -0.379865 1.080357 0.000720
C -2.318964 -0.084376 0.000292
C -1.236620 -1.029141 0.000439
C -1.757850 1.217635 0.000440
C -0.033056 -0.279531 0.000758
C -3.793803 -0.406237 -0.000025
C -1.348752 -2.531765 0.000314
C -2.427032 2.564798 0.000347
C 1.346308 -0.724081 0.001005
C 3.678076 0.062125 0.000109
C 4.437993 1.386078 -0.000339
H 0.315133 1.826135 0.000870
H -4.085320 -0.996793 0.889766
H -4.404136 0.514083 -0.000291
H -4.084871 -0.997011 -0.889817
H -0.848849 -2.972696 0.882240
H -2.405526 -2.849416 -0.000476
H -0.847490 -2.972651 -0.880853
H -1.684576 3.382861 0.000517
H -3.069691 2.698713 -0.889922
H -3.070053 2.698673 0.890358
H 3.901403 -0.550890 0.893033
H 3.900823 -0.551152 -0.892781
H 5.526755 1.192649 -0.000698
H 4.192725 1.981358 -0.896997
H 4.193364 1.981609 0.896324


