%chk=000076081.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076081

0 1
 O   -2.452400      0.9240000      1.9999999E-04
 N    2.936300     -0.4558000      3.9999999E-04
 C  -0.7557000     -0.7696000     -9.9999997E-05
 C   0.5968000      -1.111200     -1.9999999E-04
 C   -1.136000      0.5725000       0.000000    
 C    1.568800     -0.1107000     -1.9999999E-04
 C  -0.1637000       1.572900       0.000000    
 C    1.188600       1.231200     -1.9999999E-04
 C   -1.782800      -1.853300       0.000000    
 H   0.8976000      -2.156400     -9.9999997E-05
 H  -0.4456000       2.622400      1.9999999E-04
 H    1.936600       2.019900     -9.9999997E-05
 H   -2.412800      -1.779900      0.8927000    
 H   -2.413600      -1.779300     -0.8920000    
 H   -1.327400      -2.849500     -5.0000002E-04
 H    3.641400      0.2693000     -7.9999998E-04
 H    3.213100      -1.428500     -6.9999998E-04
 H   -2.522000       1.894100      3.0000001E-04


%chk=000076081-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076081

0 1
O -2.513771 0.868393 0.000160
N 2.989256 -0.457958 -0.000020
C -0.754704 -0.786318 0.000000
C 0.620029 -1.106894 -0.000087
C -1.123605 0.585966 0.000069
C 1.632653 -0.104254 -0.000095
C -0.137729 1.595867 0.000055
C 1.232685 1.259670 -0.000029
C -1.824405 -1.858772 0.000036
H 0.911307 -2.165511 -0.000128
H -0.434056 2.653979 0.000103
H 1.988727 2.053849 -0.000014
H -2.481150 -1.763162 0.884386
H -2.481763 -1.762610 -0.883794
H -1.377736 -2.867997 -0.000418
H 3.712140 0.254383 -0.000748
H 3.272637 -1.432384 -0.000767
H -2.663316 1.845853 0.000191


