%chk=000021505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021505

0 1
 O    1.596300     -0.5620000      1.3000000E-03
 O    4.907300      0.5560000     -8.2000000E-03
 O    4.045300      -1.467600     -1.0100000E-02
 O   -4.306800       1.440100     -1.6000001E-02
 N   -1.887300      0.1397000      1.3000000E-03
 N    3.899700     -0.2101000     -6.3000000E-03
 N   -3.064100     -0.5210000      3.0000000E-03
 N   -5.358000     -0.6016000     -3.9999999E-04
 C   0.4822000      0.1797000      7.7999998E-03
 C  -0.7879000     -0.5563000      9.8999999E-03
 C   0.7149000       1.505600      1.1400000E-02
 C    2.615200      0.3369000      8.9999998E-04
 C    2.125400       1.622200      6.8999999E-03
 C  -0.7423000      -2.073500      4.6999999E-03
 C   -4.239800      0.2118000     -6.2000002E-03
 H  -7.1000000E-03   2.309500      1.6600000E-02
 H    2.706400       2.533800      7.7999998E-03
 H   0.2735000      -2.472800      1.6500000E-02
 H   -1.240800      -2.447300     -0.8949000    
 H   -1.262100      -2.454700      0.8890000    
 H   -3.070600      -1.533700      1.0400000E-02
 H   -5.279600      -1.613000      8.0000004E-03
 H   -6.293600     -0.2095000     -5.1000002E-03


%chk=000021505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021505

0 1
O 1.651814 -0.617332 0.003436
O 4.950923 0.789342 0.002751
O 4.247282 -1.405595 0.003890
O -4.313261 1.498473 0.002287
N -1.893075 0.097726 0.001208
N 4.027053 -0.128704 0.005682
N -3.102044 -0.539564 0.001918
N -5.446276 -0.541884 0.002770
C 0.443506 0.115523 0.001452
C -0.791021 -0.650169 0.000449
C 0.732224 1.491354 0.001115
C 2.677742 0.338622 0.003891
C 2.151837 1.630072 0.002415
C -0.753040 -2.166604 0.000647
C -4.298978 0.246121 0.002623
H -0.020269 2.275671 -0.000213
H 2.737963 2.545267 0.002398
H 0.284628 -2.529425 0.002616
H -1.252104 -2.582360 -0.897156
H -1.255726 -2.581937 0.896584
H -3.166208 -1.567109 0.001747
H -5.452348 -1.559698 0.002969
H -6.334422 -0.045590 0.002823


