%chk=000094312.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094312

0 1
 O   -1.337700     -0.5585000       1.013600    
 O   -1.302300       2.366600      -1.060400    
 O   -3.429800       1.503200      0.4117000    
 O   -2.262100      -3.094400      0.2507000    
 O    1.555000       2.357200      0.7261000    
 O    4.562900     -0.9309000     -0.4167000    
 N   0.7135000      0.2423000      0.2290000    
 N    3.015100      0.7207000      4.8400000E-02
 C  -0.6561000      0.5891000      0.4816000    
 C   -1.397500      0.9844000     -0.7839000    
 C   -2.814700      0.5584000     -0.4637000    
 C   -2.591900     -0.7293000      0.3177000    
 C   0.9768000      -1.037600     -0.4143000    
 C   -2.477400      -1.960600     -0.5711000    
 C    2.306500      -1.606700      3.5100002E-02
 C    1.732600       1.193300      0.3602000    
 C    3.407100     -0.5971000     -0.1641000    
 H  -0.6971000       1.389800       1.229700    
 H   -1.030800      0.4337000      -1.657500    
 H   -3.449400      0.4545000      -1.348300    
 H   -3.357000     -0.8931000       1.085000    
 H   0.9765000     -0.8710000      -1.497700    
 H   0.2158000      -1.777100     -0.1703000    
 H   -1.655200      -1.890200      -1.287300    
 H   -3.407800      -2.112500      -1.127900    
 H    2.541600      -2.511100     -0.5351000    
 H    2.279200      -1.864000       1.100200    
 H   -1.891400       2.555800      -1.810400    
 H   -4.319600       1.170400      0.6194000    
 H    3.754800       1.417300      2.4200000E-02
 H   -2.204500      -3.867400     -0.3365000    


%chk=000094312-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094312

0 1
O -1.139042 -0.871473 0.631494
O -1.261773 2.120147 -1.549764
O -3.319649 1.580630 0.020807
O -3.142402 -3.069815 0.980492
O 1.380756 2.010251 1.514483
O 4.931324 -0.537697 -0.052312
N 0.864810 0.264351 0.016917
N 3.117368 0.789137 0.548899
C -0.558523 0.432163 0.193567
C -1.380281 0.758205 -1.087683
C -2.814735 0.366762 -0.643335
C -2.601666 -0.811838 0.354276
C 1.372951 -0.701158 -0.983820
C -3.071901 -2.167073 -0.171565
C 2.651021 -1.389617 -0.474417
C 1.734167 1.075421 0.744619
C 3.684651 -0.372442 -0.001615
H -0.712615 1.215289 0.959113
H -1.052968 0.115720 -1.922809
H -3.464607 0.097690 -1.498213
H -3.131076 -0.597376 1.304519
H 1.573175 -0.184386 -1.944282
H 0.586208 -1.457009 -1.144250
H -2.360922 -2.532273 -0.942690
H -4.078235 -2.051135 -0.634029
H 3.111852 -2.006159 -1.262855
H 2.409323 -2.053376 0.378008
H -1.852389 2.673750 -0.970046
H -4.267162 1.476351 0.278427
H 3.756221 1.469838 0.972410
H -3.208778 -4.007677 0.673053