%chk=000021332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021332

1 1
 O   0.2534000       1.806600     -0.1268000    
 N    1.086500     -0.2727000      0.2541000    
 C  -0.2838000     -0.3764000      0.1528000    
 C    2.028100      -1.322700      0.4908000    
 C    1.343200       1.005200      8.5500002E-02
 C  -0.7942000      0.9023000     -8.1200004E-02
 C   -1.127100      -1.481100      0.2455000    
 C    2.480200      -1.903300     -0.8341000    
 C   -2.148500       1.166600     -0.2361000    
 C    2.658600       1.658300      0.1000000    
 C   -2.499800      -1.237600      9.2299998E-02
 C   -2.996600      5.4800000E-02 -0.1427000    
 H    2.887400     -0.9389000       1.051200    
 H    1.569300      -2.100400       1.110800    
 H  -0.7600000      -2.485200      0.4243000    
 H    1.633400      -2.311800      -1.395100    
 H    3.200700      -2.710300     -0.6695000    
 H    2.957500      -1.143000      -1.460300    
 H   -2.527700       2.164400     -0.4172000    
 H    3.125500       1.560800       1.084800    
 H    3.323500       1.211800     -0.6448000    
 H    2.574700       2.726000     -0.1260000    
 H   -3.196600      -2.070100      0.1563000    
 H   -4.069200      0.1968000     -0.2555000    


%chk=000021332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021332

1 1
O 0.262329 1.834399 -0.079594
N 1.118876 -0.205957 0.261110
C -0.292622 -0.384441 0.138314
C 2.104637 -1.310666 0.449360
C 1.409715 1.108076 0.125238
C -0.828296 0.906773 -0.072628
C -1.127526 -1.515331 0.205220
C 2.388546 -2.063926 -0.864475
C -2.189616 1.172189 -0.233682
C 2.722465 1.795907 0.181204
C -2.510211 -1.273798 0.045340
C -3.029816 0.035558 -0.169981
H 3.027295 -0.870752 0.862091
H 1.688141 -1.985238 1.216977
H -0.744400 -2.525511 0.371748
H 1.473406 -2.507812 -1.291154
H 3.098379 -2.883453 -0.660717
H 2.842166 -1.404203 -1.623821
H -2.576710 2.180706 -0.394432
H 3.168636 1.728440 1.190790
H 3.439764 1.359347 -0.535869
H 2.586980 2.860111 -0.062863
H -3.204512 -2.117962 0.088541
H -4.109125 0.167645 -0.287617


