%chk=000047704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047704

0 1
 O   0.8898000       2.777000     -4.9300000E-02
 O   -5.107100      0.1956000      0.8186000    
 O    3.694600      -2.035200      0.1244000    
 O    4.022000      0.1355000      0.1192000    
 N   -2.459500     -2.2600001E-02 -0.1834000    
 N  -0.3613000       2.186700     -0.1027000    
 N    1.902700       1.834800      5.2000000E-03
 N    3.250000     -0.8582000      9.1899998E-02
 C   -1.069700     -0.1936000     -0.1166000    
 C  -0.1442000      0.8656000     -8.2099997E-02
 C    1.294800      0.6421000     -1.3500000E-02
 C   -3.384700      -1.118800     -0.2184000    
 C    1.855300     -0.6480000      2.3000000E-02
 C  -0.4885000      -1.474000     -7.9300001E-02
 C   0.9128000      -1.691800     -1.2500000E-02
 C   -4.807000     -0.5952000     -0.3246000    
 H   -2.807000      0.9299000     -0.2037000    
 H   -3.292200      -1.709300      0.7007000    
 H   -3.185700      -1.767600      -1.078800    
 H   -1.111800      -2.366700     -9.9799998E-02
 H    1.248900      -2.728400      1.2200000E-02
 H   -5.516400      -1.427400     -0.3671000    
 H   -4.933600      2.5400000E-02  -1.218000    
 H   -6.022500      0.5075000      0.7169000    


%chk=000047704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047704

0 1
O 0.647389 2.821927 0.203875
O -4.991968 0.579445 0.409466
O 3.720104 -2.037153 -0.208662
O 4.035066 0.228071 -0.059734
N -2.430982 -0.141974 0.032766
N -0.582948 2.094919 0.176407
N 1.812628 1.938719 0.117703
N 3.275808 -0.819095 -0.113918
C -1.080699 -0.349448 0.012601
C -0.198393 0.801576 0.076475
C 1.254271 0.693638 0.039642
C -3.449371 -1.196439 0.002161
C 1.835490 -0.615540 -0.066474
C -0.442165 -1.610907 -0.077639
C 0.972580 -1.722137 -0.119091
C -4.776996 -0.586218 -0.463382
H -2.793723 0.801544 0.217700
H -3.577050 -1.644540 1.008674
H -3.152668 -1.998686 -0.698204
H -1.037660 -2.526772 -0.104906
H 1.438396 -2.710026 -0.190889
H -5.587034 -1.334093 -0.353636
H -4.702455 -0.274520 -1.525432
H -5.807917 1.071009 0.146797


