%chk=000077746.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077746

0 1
 O   -4.225100     -0.3956000     -2.6000000E-03
 O  -0.9497000       3.007700      1.7000000E-03
 O    5.338900      0.2412000      3.7000000E-03
 O    4.822500      -1.892500      5.0000002E-04
 N  -0.9578000      0.6364000     -6.9999998E-04
 N   -1.891800     -0.3727000     -2.3000001E-03
 N    4.489500     -0.6826000      1.1000000E-03
 C   -2.997200       1.694700      3.9999999E-04
 C   -1.509700       1.924300      1.4000000E-03
 C   0.3981000      0.3080000     -1.4000000E-03
 C   -3.041200      0.2149000     -1.6000000E-03
 C    1.360200       1.317800      1.9999999E-04
 C   0.7917000      -1.030200     -2.6000000E-03
 C    2.715900      0.9897000      3.0000001E-04
 C    2.147500      -1.358600     -2.3000001E-03
 C    3.109600     -0.3485000     -7.9999998E-04
 C   -4.107700      -1.822700     -4.4000000E-03
 C   -5.493600      -2.431400      9.4999997E-03
 H   -3.448900       2.100200     -0.9065000    
 H   -3.449800       2.098000      0.9077000    
 H    1.135200       2.375000      1.3000000E-03
 H   7.2899997E-02  -1.845100     -3.5999999E-03
 H    3.438500       1.802000      1.6000000E-03
 H    2.417600      -2.411500     -3.0000000E-03
 H   -3.580800      -2.154200     -0.9073000    
 H   -3.563400      -2.156500      0.8872000    
 H   -5.441600      -3.523800      8.2000000E-03
 H   -6.049000      -2.105100      0.8950000    
 H   -6.067200      -2.103900     -0.8639000    


%chk=000077746-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077746

0 1
O -4.257557 -0.458456 0.000547
O -0.950053 3.106839 0.001271
O 5.469521 0.225168 -0.002472
O 4.884810 -1.981258 -0.003775
N -0.924640 0.709961 0.000561
N -1.888494 -0.366200 0.000305
N 4.587557 -0.721409 -0.001427
C -3.045379 1.718396 0.001055
C -1.533262 1.995601 0.001423
C 0.450217 0.371388 -0.000009
C -3.075583 0.216272 0.000678
C 1.450737 1.386466 0.000315
C 0.823645 -1.002584 -0.000853
C 2.806786 1.023022 -0.000184
C 2.179712 -1.360356 -0.001357
C 3.162391 -0.344411 -0.000978
C -4.175666 -1.958671 0.000934
C -5.608154 -2.474735 0.004663
H -3.526763 2.159204 -0.888588
H -3.527006 2.158735 0.890789
H 1.158164 2.437583 0.000968
H 0.042191 -1.764024 -0.001101
H 3.593513 1.781675 0.000078
H 2.492674 -2.407489 -0.002001
H -3.610535 -2.267998 -0.897385
H -3.605983 -2.267461 0.896547
H -5.603701 -3.579510 0.004656
H -6.150442 -2.130357 0.901218
H -6.155101 -2.130392 -0.889078


