%chk=000094827.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094827

0 1
 O    4.137700      0.2591000      0.1784000    
 O    3.214500      -1.762100     -0.4538000    
 O   -5.317700     -0.1906000      0.2564000    
 O   -4.088700      -2.009300      0.2269000    
 N   -4.202200     -0.7604000      0.1817000    
 C  -0.6327000      0.2011000     -0.1810000    
 C   -1.781300     -0.5784000     -4.3299999E-02
 C   -3.032700      3.2299999E-02  4.1200001E-02
 C  -0.7356000       1.591300     -0.2340000    
 C   0.6725000     -0.4347000     -0.2686000    
 C   -3.135200       1.422400     -1.1700000E-02
 C   -1.986700       2.201900     -0.1495000    
 C    1.854400      0.1726000     -2.1500001E-02
 C    5.450200     -0.3093000      0.1206000    
 C    3.119800     -0.5876000     -0.1346000    
 C    6.463800      0.7517000      0.4928000    
 H   -1.682700      -1.661400     -1.8000000E-03
 H   0.1280000       2.237500     -0.3606000    
 H   0.6628000      -1.486500     -0.5470000    
 H   -4.093000       1.932700      5.0099999E-02
 H   -2.067300       3.284100     -0.1955000    
 H    1.930200       1.209900      0.2846000    
 H    5.516300      -1.147600      0.8232000    
 H    5.647400     -0.6699000     -0.8952000    
 H    7.480500      0.3504000      0.4588000    
 H    6.397300       1.604700     -0.1904000    
 H    6.268300       1.135000       1.499800    


%chk=000094827-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094827

0 1
O 4.241870 0.297719 0.113776
O 3.221766 -1.805077 -0.011481
O -5.446268 -0.278174 -0.142040
O -4.095771 -2.115568 -0.172076
N -4.284172 -0.839572 -0.135000
C -0.654391 0.273522 -0.020432
C -1.809491 -0.551323 -0.073113
C -3.086484 0.041522 -0.080415
C -0.834191 1.688517 0.023058
C 0.666881 -0.372798 -0.013080
C -3.271738 1.439334 -0.037593
C -2.122392 2.258551 0.014417
C 1.883622 0.246141 0.041517
C 5.575878 -0.376377 0.124017
C 3.130353 -0.551780 0.042029
C 6.625499 0.722280 0.251505
H -1.726015 -1.642005 -0.107578
H 0.040206 2.346143 0.063425
H 0.677714 -1.471742 -0.054985
H -4.283529 1.852315 -0.045530
H -2.236665 3.346572 0.048046
H 2.007653 1.332630 0.087912
H 5.598418 -1.087533 0.969733
H 5.677610 -0.955396 -0.811983
H 7.635616 0.273922 0.262178
H 6.567138 1.425353 -0.596916
H 6.488783 1.291724 1.186607


