%chk=000014639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014639

0 1
 O    1.473600      -1.641400     -7.6200001E-02
 N   -4.080800     -0.2169000      0.1375000    
 N   0.1217000      -1.879300     -0.2925000    
 C   -4.895400     -3.5200000E-02   1.338600    
 C   -4.393100      0.9331000     -0.7105000    
 C   -6.232600      0.4259000      0.7777000    
 C   -5.903000       1.059000     -0.5706000    
 C   -2.660400     -0.3153000      0.4391000    
 C   -1.842300     -0.5520000     -0.8329000    
 C  -0.3752000     -0.6809000     -0.5461000    
 C   0.5596000      0.3448000     -0.5131000    
 C    1.722000     -0.3135000     -0.2103000    
 C    3.085200      8.6800002E-02 -1.4200000E-02
 C    3.448600       1.432900     -0.1299000    
 C    4.063600     -0.8649000      0.2938000    
 C    4.774400       1.822700      5.9700001E-02
 C    5.389400     -0.4748000      0.4835000    
 C    5.744700      0.8690000      0.3664000    
 H   -4.483000      0.7407000       1.996500    
 H   -4.997300     -0.9613000       1.913000    
 H   -4.122900      0.7780000      -1.759400    
 H   -3.909500       1.850800     -0.3517000    
 H   -6.726000       1.135800       1.449100    
 H   -6.908500     -0.4251000      0.6324000    
 H   -6.416100      0.5131000      -1.371200    
 H   -6.224800       2.104300     -0.6171000    
 H   -2.298600      0.5843000      0.9556000    
 H   -2.496000      -1.156700       1.125000    
 H   -1.966000      0.2758000      -1.541500    
 H   -2.196500      -1.456700      -1.344700    
 H   0.4161000       1.401800     -0.6820000    
 H    2.715600       2.199700     -0.3680000    
 H    3.826600      -1.921300      0.3934000    
 H    5.051500       2.868900     -3.1399999E-02
 H    6.145500      -1.217000      0.7223000    
 H    6.777000       1.172600      0.5140000    


%chk=000014639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014639

0 1
O 1.606419 -1.847636 -0.332202
N -4.072251 -0.092885 0.170397
N 0.180699 -2.122411 -0.571856
C -4.866310 0.216614 1.388217
C -4.507208 0.897889 -0.852889
C -6.281299 0.453248 0.819767
C -6.020904 1.134657 -0.563758
C -2.619497 -0.173661 0.389580
C -1.886358 -0.787485 -0.831509
C -0.400663 -0.896179 -0.608847
C 0.554109 0.161972 -0.407825
C 1.787843 -0.456731 -0.240427
C 3.149745 0.027741 -0.005514
C 3.403559 1.420409 0.135620
C 4.235777 -0.886866 0.085247
C 4.714078 1.886465 0.361492
C 5.544515 -0.414710 0.311690
C 5.790607 0.971732 0.450674
H -4.495900 1.139073 1.907244
H -4.818123 -0.621502 2.106025
H -4.327229 0.513876 -1.872594
H -3.938671 1.858666 -0.748001
H -6.902834 1.072578 1.489515
H -6.788517 -0.516381 0.677626
H -6.658077 0.691505 -1.347474
H -6.242605 2.215762 -0.528867
H -2.179387 0.834555 0.617389
H -2.434205 -0.815386 1.271101
H -2.074344 -0.164115 -1.726472
H -2.305547 -1.788799 -1.029939
H 0.342839 1.228158 -0.401675
H 2.576581 2.136230 0.070689
H 4.040997 -1.958219 -0.023281
H 4.897269 2.961120 0.468867
H 6.373378 -1.127597 0.379637
H 6.808614 1.336012 0.626652


