%chk=000044528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044528

1 1
 N  -0.3082000      0.1045000     -0.5291000    
 C   -1.485300      0.8600000      7.0799999E-02
 C   0.7879000       1.090400     -0.9068000    
 C   0.2309000     -0.8874000      0.4915000    
 C  -0.7666000     -0.6449000      -1.771900    
 C   -2.576000     -0.1324000      0.4453000    
 C    1.574200       1.463900      0.3410000    
 C    1.406700      -1.638000     -0.1158000    
 C   -1.301600      0.3462000      -2.782400    
 C   -3.800300      0.5858000       1.011200    
 C    2.660000       2.489800      1.8700000E-02
 C    1.954000      -2.680600      0.8583000    
 C   -4.911500     -0.3931000       1.355600    
 C    3.429100       2.898000       1.265000    
 C    3.106700      -3.462400      0.2487000    
 H   -1.829100       1.632200     -0.6233000    
 H   -1.135900       1.370000      0.9750000    
 H   0.3216000       1.984100      -1.336700    
 H    1.437500      0.6374000      -1.664500    
 H  -0.5431000      -1.639100      0.6742000    
 H   0.4320000     -0.3991000       1.450400    
 H   0.1040000      -1.107800      -2.244400    
 H   -1.466500      -1.444500      -1.519400    
 H   -2.249500     -0.8324000       1.218900    
 H   -2.928900     -0.7121000     -0.4104000    
 H    2.101800      0.6352000      0.8158000    
 H   0.9177000       1.903800       1.099900    
 H    2.234900      -1.002700     -0.4375000    
 H    1.098500      -2.212200     -0.9945000    
 H   -2.245800      0.8055000      -2.479000    
 H  -0.5943000       1.128300      -3.067200    
 H   -1.529000     -0.1973000      -3.708100    
 H   -3.521400       1.146400       1.911100    
 H   -4.177400       1.311400      0.2809000    
 H    3.359300       2.074000     -0.7162000    
 H    2.208600       3.382200     -0.4309000    
 H    2.300300      -2.185800       1.773200    
 H    1.160200      -3.379400       1.147100    
 H   -4.579000      -1.116600       2.106800    
 H   -5.239400     -0.9443000      0.4684000    
 H   -5.775900      0.1427000       1.760200    
 H    3.924600       2.035500       1.721900    
 H    2.762700       3.346000       2.009000    
 H    4.197700       3.634700       1.010900    
 H    3.933200      -2.797300     -2.1299999E-02
 H    2.787200      -3.997300     -0.6513000    
 H    3.484600      -4.199100      0.9645000    


%chk=000044528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044528

1 1
N -0.248574 -0.002469 -0.561739
C -1.424795 0.681511 0.184995
C 0.860062 1.051678 -0.823584
C 0.285987 -1.168119 0.313938
C -0.715171 -0.583518 -1.923208
C -2.678832 -0.177710 0.418029
C 1.530626 1.662598 0.418588
C 1.568801 -1.864083 -0.172608
C -1.404100 0.406088 -2.870461
C -3.752779 0.649496 1.175064
C 2.623586 2.674806 -0.018261
C 1.944445 -3.012316 0.802714
C -5.033033 -0.169683 1.441319
C 3.324144 3.330270 1.190373
C 3.230444 -3.744410 0.365204
H -1.679719 1.581823 -0.400498
H -1.012497 1.014245 1.152223
H 0.386183 1.848130 -1.421738
H 1.613175 0.553074 -1.457793
H -0.536336 -1.900872 0.374046
H 0.439267 -0.749044 1.323269
H 0.188451 -1.000114 -2.397291
H -1.387743 -1.422987 -1.681474
H -2.444831 -1.075842 1.019751
H -3.113412 -0.524262 -0.538699
H 2.002800 0.881332 1.043337
H 0.796355 2.194989 1.051473
H 2.415552 -1.154085 -0.221634
H 1.437413 -2.294680 -1.183282
H -2.335686 0.825407 -2.456106
H -0.748951 1.233864 -3.187755
H -1.680839 -0.147823 -3.785095
H -3.334512 1.005688 2.137629
H -4.007837 1.553543 0.586448
H 3.376217 2.159034 -0.647668
H 2.166682 3.461584 -0.651419
H 2.080514 -2.601592 1.823173
H 1.107574 -3.736439 0.861034
H -4.819806 -1.060972 2.059577
H -5.495809 -0.512627 0.497782
H -5.781623 0.437552 1.978573
H 3.825236 2.575858 1.824178
H 2.604184 3.882037 1.822198
H 4.092461 4.048151 0.855436
H 4.092898 -3.053958 0.324529
H 3.112752 -4.200912 -0.634666
H 3.482279 -4.552040 1.073701


