%chk=000004511.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004511

0 1
 O   -2.695300      -2.456000      1.2100000E-02
 O  -0.7937000       3.497200       0.000000    
 O    2.201300      -2.858800     -1.1000000E-03
 O    1.394000       3.315100      3.1999999E-03
 O    3.453600      -1.055900      7.9999998E-04
 N   0.2498000       2.800200      1.1000000E-03
 N    2.328200      -1.610500     -3.0000001E-04
 N   -3.672300     -0.3813000     -3.7000000E-03
 C   -1.245900     -0.5997000     -3.1000001E-03
 C   0.1319000       1.385100      3.9999999E-04
 C    1.161800     -0.8005000     -1.4000000E-03
 C  -0.1000000      -1.395000     -3.1999999E-03
 C   -1.129900      0.7903000     -1.4000000E-03
 C    1.277900      0.5896000      3.9999999E-04
 C   -2.561400      -1.219700     -3.8000001E-03
 H  -0.2025000      -2.477700     -4.6000001E-03
 H   -1.998600       1.436400     -6.0000003E-04
 H    2.261700       1.053200      1.8000000E-03
 H   -3.660900      0.6299000     -1.2500000E-02
 H   -4.600900     -0.7922000      3.0000000E-03


%chk=000004511-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004511

0 1
O -2.678521 -2.525173 0.010072
O -0.767205 3.595132 0.003006
O 2.164566 -2.930649 -0.002558
O 1.505379 3.379748 -0.000136
O 3.503343 -1.081502 -0.004191
N 0.314949 2.891232 0.001668
N 2.350189 -1.657038 -0.002814
N -3.761212 -0.478487 -0.007298
C -1.282978 -0.546741 0.002763
C 0.170523 1.407642 0.001212
C 1.141757 -0.779786 -0.000879
C -0.133006 -1.372712 0.001001
C -1.128205 0.857776 0.002920
C 1.331103 0.615077 -0.000883
C -2.623154 -1.259384 0.005734
H -0.255197 -2.460145 0.001775
H -1.967271 1.559076 0.005534
H 2.329873 1.058160 -0.002252
H -3.756417 0.538536 -0.018584
H -4.659716 -0.961063 -0.008989


