%chk=000045867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045867

0 1
 N   -3.199400       1.547900      8.5000001E-02
 N   0.6850000      0.2227000      -3.353800    
 C   0.3604000      0.3740000     -0.7242000    
 C  -0.1814000       1.806000     -0.4373000    
 C   -2.134800      0.9796000      0.9203000    
 C  -0.9069000       1.895200      0.9019000    
 C  -0.6561000     -0.7124000     -0.3190000    
 C   -1.794300     -0.4247000      0.4665000    
 C    1.720300      0.2212000      2.2000000E-03
 C  -0.4241000      -2.054100     -0.6979000    
 C   -2.665800      -1.469700      0.8310000    
 C   0.5431000      0.2889000      -2.204200    
 C    2.882800      0.6494000     -0.6245000    
 C    1.759100     -0.3423000       1.270500    
 C   -1.297800      -3.075700     -0.3265000    
 C   -2.419800      -2.783100      0.4374000    
 C   -3.518200       2.898400      0.5146000    
 C    4.107100      0.5115000      2.9500000E-02
 C    2.983500     -0.4800000       1.924500    
 C    4.157400     -5.3100001E-02   1.304000    
 H  -0.8765000       2.120100      -1.229300    
 H   0.6324000       2.543600     -0.4578000    
 H   -2.485200      0.9211000       1.960500    
 H  -0.2254000       1.582000       1.702900    
 H   -1.127100       2.938400       1.145800    
 H   -4.034400      0.9687000      0.1770000    
 H   0.4549000      -2.317800      -1.282400    
 H   -3.548800      -1.259500       1.430900    
 H    2.881500       1.116100      -1.604400    
 H   0.8681000     -0.6724000       1.794000    
 H   -1.097500      -4.098800     -0.6308000    
 H   -3.102400      -3.575400      0.7295000    
 H   -4.488000       3.179300      8.8000000E-02
 H   -2.807300       3.636500      0.1318000    
 H   -3.612700       2.989800       1.602000    
 H    5.020900      0.8492000     -0.4507000    
 H    3.022700     -0.9159000       2.918500    
 H    5.110500     -0.1583000       1.814100    


%chk=000045867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045867

0 1
N -3.102788 1.661656 0.106704
N 0.835399 0.074182 -3.430591
C 0.399965 0.338302 -0.801511
C -0.126640 1.806092 -0.581516
C -2.006790 1.095842 0.940624
C -0.733349 1.965623 0.820482
C -0.658499 -0.698738 -0.353417
C -1.741693 -0.343090 0.493436
C 1.745461 0.152887 -0.037785
C -0.508761 -2.049679 -0.758130
C -2.644328 -1.353665 0.916938
C 0.644164 0.173763 -2.256935
C 2.947064 0.668109 -0.588317
C 1.787503 -0.459703 1.238508
C -1.415249 -3.042619 -0.339390
C -2.492242 -2.694316 0.510374
C -3.827789 2.803211 0.689187
C 4.162912 0.574996 0.122313
C 3.004611 -0.550292 1.952178
C 4.196830 -0.033057 1.398860
H -0.915321 2.024757 -1.324761
H 0.710012 2.507911 -0.741600
H -2.316135 1.069319 2.016576
H -0.004300 1.678241 1.601732
H -0.991687 3.026686 0.991307
H -3.725051 0.930825 -0.257196
H 0.327570 -2.320422 -1.413164
H -3.469650 -1.076783 1.585709
H 2.936363 1.129782 -1.582914
H 0.874947 -0.882194 1.671368
H -1.282691 -4.078766 -0.668667
H -3.198442 -3.459047 0.851794
H -4.660009 3.088788 0.022294
H -3.161996 3.681669 0.773521
H -4.246691 2.603548 1.706459
H 5.082772 0.970847 -0.322344
H 3.019621 -1.029819 2.937408
H 5.140709 -0.108443 1.950066


