%chk=000055653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055653

0 1
 O   -2.517000      -2.211000       1.098100    
 O   -2.518200      -2.211500      -1.097100    
 O    3.216200      -1.947300       1.097600    
 O    3.217000      -1.947000      -1.097700    
 O   -3.688600       1.086200      -1.097500    
 O   -3.687800       1.086600       1.097800    
 N    2.987300      -1.390800     -9.9999997E-05
 N   -2.136200      -1.743200      1.9999999E-04
 N   -3.096900      0.9633000       0.000000    
 C    1.059200      0.1647000     -3.0000001E-04
 C   0.5855000       1.498400     -9.9999997E-05
 C   0.1349000     -0.8926000     -3.9999999E-04
 C    2.443500     -7.2300002E-02   0.000000    
 C  -0.7988000       1.735300     -3.0000001E-04
 C   -1.237000     -0.6387000     -6.0000003E-04
 C   -1.702800      0.6726000     -3.9999999E-04
 C    1.510000       2.555500      1.9999999E-04
 C    3.347700      0.9902000      1.9999999E-04
 C    2.881900       2.301600      3.9999999E-04
 H   0.4687000      -1.928700     -3.0000001E-04
 H   -1.170400       2.759300     -9.9999997E-05
 H    1.168700       3.588700      3.0000001E-04
 H    4.420500      0.8112000      3.9999999E-04
 H    3.586200       3.128500      6.0000003E-04


%chk=000055653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055653

0 1
O -2.566801 -2.232563 1.145163
O -2.567551 -2.231830 -1.145353
O 3.224130 -1.991425 1.143600
O 3.226629 -1.990372 -1.143792
O -3.737201 1.084035 -1.144937
O -3.736584 1.086996 1.145048
N 3.020045 -1.437188 -0.000067
N -2.193338 -1.784921 -0.000079
N -3.165804 0.963356 0.000058
C 1.076303 0.150031 0.000048
C 0.597327 1.517812 0.000089
C 0.137508 -0.929798 0.000051
C 2.494700 -0.042869 0.000006
C -0.814024 1.757960 0.000125
C -1.222611 -0.652807 -0.000029
C -1.700008 0.689640 0.000021
C 1.536392 2.600187 0.000140
C 3.402415 1.010297 0.000018
C 2.909472 2.351156 0.000119
H 0.479890 -1.969100 0.000122
H -1.189705 2.786041 0.000241
H 1.161315 3.628817 0.000196
H 4.478653 0.815053 -0.000050
H 3.622449 3.180492 0.000162


