%chk=000047953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047953

0 1
 N   -3.347600     -0.3118000     -0.9501000    
 C   -1.285900      0.3476000     -3.4699999E-02
 C   -2.116900     -0.2227000       1.050200    
 C   -1.876700       1.264100       1.005100    
 C   -1.976600      6.1500002E-02  -1.329100    
 C   -3.313200     -0.8559000      0.4158000    
 C   0.1900000      0.1728000     -2.9300001E-02
 C    1.027800       1.275200     -0.2131000    
 C   0.7455000      -1.095100      0.1596000    
 C    2.413000       1.110900     -0.2082000    
 C    2.130600      -1.259300      0.1646000    
 C    2.964400     -0.1563000     -1.9300001E-02
 C    4.445600     -0.3309000     -1.1400000E-02
 H   -1.687900     -0.7900000       1.862500    
 H   -2.694800       1.915300      0.7209000    
 H   -1.237600       1.683000       1.774300    
 H   -1.987800      0.9352000      -1.988000    
 H   -1.507400     -0.7751000      -1.860000    
 H   -3.187500      -1.943600      0.3843000    
 H   -4.234800     -0.6172000      0.9535000    
 H   -3.739000     -0.9869000      -1.604300    
 H   0.6115000       2.267900     -0.3646000    
 H   0.1100000      -1.965800      0.2992000    
 H    3.052100       1.978200     -0.3510000    
 H    2.548200      -2.251500      0.3138000    
 H    4.933100      0.4023000     -0.6629000    
 H    4.832700     -0.2096000       1.005000    
 H    4.728700      -1.323400     -0.3785000    


%chk=000047953-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047953

0 1
N -3.415132 -0.319655 -0.874472
C -1.272838 0.279516 -0.037095
C -2.198986 -0.141698 1.131633
C -1.993844 1.346325 0.798624
C -2.012904 -0.152087 -1.321640
C -3.432428 -0.814822 0.525235
C 0.222342 0.137087 -0.012820
C 1.072545 1.270787 0.002853
C 0.828075 -1.147156 -0.047322
C 2.477825 1.127533 -0.008939
C 2.231407 -1.289281 -0.059751
C 3.083903 -0.154075 -0.037252
C 4.595374 -0.308814 -0.015767
H -1.782955 -0.540438 2.060671
H -2.830748 1.882089 0.340174
H -1.385989 1.925783 1.500699
H -1.951768 0.611874 -2.120652
H -1.533155 -1.086055 -1.703912
H -3.324826 -1.923263 0.623621
H -4.376630 -0.518285 1.021880
H -4.053133 -0.776455 -1.531516
H 0.624763 2.271428 0.018480
H 0.191501 -2.040817 -0.054219
H 3.113401 2.021993 0.000913
H 2.674937 -2.292747 -0.084284
H 5.097294 0.550427 -0.494991
H 4.975141 -0.373060 1.022828
H 4.916328 -1.227234 -0.538678


