%chk=000078943.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078943

0 1
 O    2.197200      4.7400001E-02  3.5500001E-02
 O   -2.518200      4.6900000E-02 -0.2717000    
 O    1.117500      -1.981800     -0.1046000    
 N  -3.4499999E-02   2.656800     -2.0300001E-02
 C    3.460300     -0.6238000      9.5100001E-02
 C   -3.532100     -0.7642000      0.2973000    
 C    4.562600      0.4081000      0.2025000    
 C   -4.852800     -2.8300000E-02  0.2215000    
 C  -0.1292000      7.4600004E-02 -0.1151000    
 C    1.104700     -0.7595000     -6.3600004E-02
 C   -1.297800     -0.5741000     -0.2135000    
 C  -7.7699997E-02   1.497900     -6.3000001E-02
 H    3.482800      -1.282200      0.9707000    
 H    3.599400      -1.221100     -0.8130000    
 H   -3.621900      -1.708600     -0.2540000    
 H   -3.297500     -0.9833000       1.346500    
 H    5.544200     -7.1500003E-02  0.2503000    
 H    4.541300       1.085500     -0.6576000    
 H    4.426600       1.025500       1.096600    
 H   -5.659800     -0.6271000      0.6531000    
 H   -4.794700      0.9246000      0.7580000    
 H   -5.104700      0.2067000     -0.8179000    
 H   -1.369800      -1.653400     -0.2682000    


%chk=000078943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078943

0 1
O 2.261756 0.074205 0.077321
O -2.513335 0.006767 0.111211
O 1.173812 -1.991385 0.194267
N -0.034945 2.701645 -0.036383
C 3.581070 -0.631983 0.103341
C -3.726513 -0.873763 0.151873
C 4.652704 0.446625 -0.007700
C -4.939975 0.046569 0.141929
C -0.113133 0.078118 0.094655
C 1.134420 -0.733961 0.128649
C -1.303178 -0.619094 0.134992
C -0.067299 1.507023 0.023157
H 3.646765 -1.203577 1.046875
H 3.606051 -1.348546 -0.737475
H -3.700799 -1.535735 -0.734605
H -3.677988 -1.486328 1.072391
H 5.654527 -0.019987 0.009623
H 4.546345 1.011315 -0.949223
H 4.584114 1.158061 0.832513
H -5.866175 -0.555245 0.169992
H -4.930224 0.715808 1.018220
H -4.952640 0.666747 -0.769712
H -1.269459 -1.718179 0.188688


