%chk=000122324.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122324

0 1
 O  -0.7087000       1.320800      4.0000002E-03
 O    2.161200      -2.752000      0.5139000    
 O    4.779700      -1.943800      0.2404000    
 N  -0.3472000       4.037800      0.1153000    
 C  -0.9806000      8.8999998E-03 -0.4981000    
 C   0.5657000       1.824300     -0.4323000    
 C  -3.2499999E-02 -0.9726000      0.1950000    
 C    1.397700     -0.5248000      3.9700001E-02
 C    1.692300      0.8251000     -0.2322000    
 C   -2.429500     -0.3374000     -0.2349000    
 C   0.7726000       3.134000      0.3266000    
 C    2.437100      -1.449500      0.2122000    
 C    3.034500       1.205300     -0.3854000    
 C    3.764900      -1.049500      7.9800002E-02
 C    4.062900      0.2752000     -0.2248000    
 C   -3.109100      -1.200200      -1.095700    
 C   -3.088300      0.2060000      0.8686000    
 C   -4.445200      -1.519200     -0.8533000    
 C   -4.424400     -0.1129000       1.111100    
 C   -5.102800     -0.9755000      0.2501000    
 H  -0.8165000      1.7899999E-02  -1.585000    
 H   0.4878000       2.031500      -1.508500    
 H  -0.1751000      -1.974300     -0.2279000    
 H  -0.2483000      -1.022900       1.270300    
 H    1.689000       3.641600      1.1000000E-02
 H   0.8583000       2.936100       1.402100    
 H    3.297800       2.228000     -0.6402000    
 H    5.093200      0.6001000     -0.3433000    
 H   -2.606900      -1.631600      -1.957600    
 H   -2.580400      0.8707000       1.562000    
 H  -0.2256000       4.870600      0.6898000    
 H   -1.209900       3.595600      0.4303000    
 H   -4.973400      -2.191400      -1.523200    
 H   -4.936000      0.3079000       1.971800    
 H    3.001800      -3.235200      0.5945000    
 H   -6.142900      -1.224500      0.4394000    
 H    5.628600      -1.487000      0.1112000    


%chk=000122324-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122324

0 1
O -0.719949 1.358712 0.029639
O 2.168793 -2.768759 0.486295
O 4.750361 -2.062642 0.243468
N -0.300626 4.115644 0.066451
C -0.997209 0.011627 -0.506353
C 0.594385 1.881483 -0.404882
C -0.030398 -0.982770 0.176824
C 1.405002 -0.501667 0.059867
C 1.717935 0.858041 -0.222118
C -2.454968 -0.320835 -0.240824
C 0.777408 3.174067 0.412440
C 2.462462 -1.426017 0.208189
C 3.069544 1.252156 -0.373650
C 3.810592 -1.015869 0.069303
C 4.122978 0.321505 -0.227829
C -3.146571 -1.204159 -1.105474
C -3.124223 0.200648 0.893734
C -4.485470 -1.568802 -0.839180
C -4.464865 -0.158220 1.157518
C -5.149227 -1.046385 0.295005
H -0.805184 0.012312 -1.603075
H 0.510819 2.166172 -1.478542
H -0.129667 -1.991441 -0.263871
H -0.318652 -1.079717 1.241644
H 1.748173 3.631301 0.147087
H 0.824490 2.884740 1.489488
H 3.313158 2.291658 -0.616225
H 5.165830 0.640643 -0.345316
H -2.639167 -1.604855 -1.992391
H -2.590972 0.896341 1.549044
H -0.240162 5.021585 0.539275
H -1.227749 3.685978 0.150142
H -5.010669 -2.251648 -1.516578
H -4.976989 0.254587 2.034325
H 3.023482 -3.272385 0.545972
H -6.189018 -1.324482 0.501232
H 5.678122 -1.745446 0.136065


