%chk=000127204.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127204

0 1
 O   -4.077500       1.067700     -0.7609000    
 O   -6.022800     -0.2206000      0.7575000    
 O    4.553000       1.279100      0.6526000    
 O    4.907400     -0.9562000      0.4428000    
 N    2.074000       1.128700      2.6200000E-02
 C   -2.297000     -0.2150000      0.2335000    
 C   -1.363400     -4.6799999E-02 -0.9741000    
 C   -3.788900     -0.1737000     -0.1189000    
 C   0.1015000     -7.7000000E-02 -0.6184000    
 C   -4.651900     -0.2885000       1.134600    
 C   0.7913000      -1.272200     -0.6090000    
 C   0.7630000       1.085900     -0.3008000    
 C    2.141700      -1.268600     -0.2775000    
 C    2.731000     -5.2800000E-02  2.9300001E-02
 C    4.138600      1.0100000E-02  0.3831000    
 H   -2.071500      -1.162000      0.7402000    
 H   -2.074100      0.5859000      0.9515000    
 H   -1.581300      0.8975000      -1.489300    
 H   -1.572700     -0.8349000      -1.709300    
 H   -4.040700     -0.9682000     -0.8296000    
 H   -4.465700      0.5425000       1.822400    
 H   -4.477300      -1.230700       1.663100    
 H   0.2997000      -2.209200     -0.8527000    
 H   0.2609000       2.047800     -0.2934000    
 H   -3.853000       1.784100     -0.1427000    
 H    2.698100      -2.199700     -0.2649000    
 H   -6.200400     -0.9705000      0.1643000    
 H    5.504600       1.309400      0.8895000    


%chk=000127204-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127204

0 1
O -3.959184 1.178541 -0.713556
O -6.041821 0.103979 0.819064
O 4.690855 1.292991 0.834560
O 5.012821 -0.961174 0.396646
N 2.058433 1.143524 0.105557
C -2.251558 -0.231684 0.265864
C -1.370170 -0.146963 -1.011979
C -3.746568 -0.122609 -0.065036
C 0.108305 -0.139056 -0.681178
C -4.642574 -0.213926 1.184077
C 0.908337 -1.307690 -0.745966
C 0.749992 1.057630 -0.250860
C 2.269256 -1.245574 -0.384720
C 2.803057 -0.003079 0.040442
C 4.249310 0.038648 0.427749
H -2.054430 -1.184537 0.796672
H -1.982704 0.593717 0.952301
H -1.655805 0.773670 -1.552545
H -1.606732 -1.003509 -1.672821
H -4.033221 -0.938511 -0.772420
H -4.365806 0.569278 1.909219
H -4.565026 -1.209348 1.666243
H 0.468590 -2.254178 -1.081287
H 0.180799 1.994563 -0.198823
H -4.929847 1.382818 -0.628853
H 2.924884 -2.119988 -0.422660
H -6.448754 -0.676064 0.363120
H 5.656163 1.220631 1.070290


