%chk=000022519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022519

1 1
 O    3.831500      0.8087000      2.7999999E-03
 N   -2.770200     -0.5097000      3.0000001E-04
 N    2.099000     -0.7904000     -7.9999998E-04
 C   -1.399000      0.1705000     -5.0000002E-04
 C   -3.531700     -8.0100000E-02  -1.250500    
 C   -3.522300     -9.6900001E-02   1.262500    
 C   -2.659200      -2.032900     -9.8999999E-03
 C  -0.3130000     -0.6391000     -6.9999998E-04
 C   -1.387100       1.525000     -9.9999997E-05
 C   0.9365000     -1.8800000E-02 -8.9999998E-04
 C  -0.1377000       2.145200     -3.9999999E-04
 C    1.023900       1.373400     -6.9999998E-04
 C    3.429300     -0.3503000     -5.0000002E-04
 C    4.400000      -1.504600     -5.0000002E-04
 H   -2.926100     -0.3213000      -2.130100    
 H   -4.475000     -0.6350000      -1.280800    
 H   -3.751100      0.9901000      -1.206000    
 H   -3.736700      0.9750000       1.235600    
 H   -4.467700     -0.6485000       1.290000    
 H   -2.912000     -0.3537000       2.134200    
 H   -2.157000      -2.372300      0.9020000    
 H   -3.676800      -2.440400     -1.2100000E-02
 H   -2.157400      -2.359800     -0.9266000    
 H  -0.3233000      -1.720300     -3.0000001E-04
 H   -2.274100       2.146500      1.4000000E-03
 H  -7.0500001E-02   3.229400       0.000000    
 H    1.953600       1.925000     -1.0000000E-03
 H    1.952800      -1.797700     -1.0000000E-03
 H    4.264800      -2.100800      0.9062000    
 H    5.425700      -1.126400     -2.8000001E-02
 H    4.230400      -2.132400     -0.8798000    


%chk=000022519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022519

1 1
O 3.854039 0.838293 -0.000931
N -2.819386 -0.528883 0.000230
N 2.158101 -0.786509 -0.004223
C -1.440871 0.145291 0.002245
C -3.595025 -0.099745 -1.255229
C -3.595552 -0.106533 1.257668
C -2.742014 -2.054178 -0.003878
C -0.265181 -0.625413 -0.001457
C -1.401476 1.556597 0.007648
C 1.004306 0.026340 0.000125
C -0.138202 2.187006 0.009348
C 1.059649 1.448762 0.005666
C 3.516135 -0.373359 -0.003933
C 4.505641 -1.529344 -0.005750
H -3.019264 -0.402795 -2.142004
H -4.581163 -0.589702 -1.247803
H -3.717662 0.991169 -1.254280
H -3.719045 0.984282 1.262154
H -4.581353 -0.597120 1.247583
H -3.019771 -0.413591 2.143044
H -2.219708 -2.399150 0.899986
H -3.769733 -2.447704 -0.005602
H -2.218608 -2.394240 -0.908970
H -0.289633 -1.718609 -0.005629
H -2.305773 2.172687 0.010486
H -0.089320 3.280042 0.013564
H 2.031694 1.944125 0.006787
H 2.007887 -1.798705 -0.007857
H 4.405184 -2.145541 0.906944
H 5.524651 -1.119661 -0.038964
H 4.361054 -2.186414 -0.883169


