%chk=000025389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025389

0 1
 N   -4.180800     -0.6311000      0.2237000    
 C   0.1234000     -0.2290000     -0.2895000    
 C  -0.1619000     -0.1898000      -1.821000    
 C   -1.261600     -0.4276000      0.3950000    
 C   0.6981000       1.114400      0.2097000    
 C   0.9508000      0.4828000      -2.613300    
 C    1.084200       1.935700      -2.180600    
 C    1.073000      -1.419600     -1.9000000E-03
 C    1.160000       2.103400     -0.6851000    
 C   -2.169100      0.7663000      0.1353000    
 C   0.8142000       1.359500       1.594400    
 C   -3.535400      0.5503000      0.7839000    
 C    1.674200       3.312000     -0.1833000    
 C    2.443700      -1.206400      3.5599999E-02
 C   0.5392000      -2.682200      0.2146000    
 C    1.339400       2.558400       2.077300    
 C    1.764400       3.537200       1.188200    
 C    3.298300      -2.277900      0.2947000    
 C    1.394000      -3.753600      0.4738000    
 C    2.773600      -3.551300      0.5138000    
 C   -4.341900     -0.4924000      -1.224800    
 C   -5.479800     -0.8590000      0.8593000    
 H   -1.074700      0.3331000      -2.102700    
 H  -0.2984000      -1.210600      -2.203800    
 H   -1.748600      -1.317100     -1.7200001E-02
 H   -1.163300     -0.6040000       1.473600    
 H   0.7239000      0.4411000      -3.685100    
 H    1.900100     -4.6300001E-02  -2.477700    
 H   0.2207000       2.507100      -2.543800    
 H    1.980100       2.358400      -2.651200    
 H   -1.762000       1.663300      0.6164000    
 H   -2.306100       1.055700     -0.9051000    
 H   0.5061000      0.6096000       2.318500    
 H   -3.399300      0.4249000       1.865800    
 H   -4.150600       1.448600      0.6415000    
 H    2.013100       4.086900     -0.8672000    
 H    2.893200     -0.2359000     -0.1456000    
 H  -0.5206000      -2.900100      0.1731000    
 H    1.416700       2.724700       3.147700    
 H    2.169800       4.473300       1.560500    
 H    4.372900      -2.121700      0.3218000    
 H   0.9865000      -4.746800      0.6392000    
 H    3.439200      -4.386000      0.7135000    
 H   -3.391000     -0.5750000      -1.758700    
 H   -4.832100      0.4477000      -1.503300    
 H   -4.954500      -1.313200      -1.618000    
 H   -5.938400      -1.779300      0.4805000    
 H   -6.175500     -2.9600000E-02  0.6876000    
 H   -5.360800     -0.9919000       1.940500    


%chk=000025389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025389

0 1
N -4.300352 -0.621538 0.122029
C 0.118763 -0.162461 -0.307382
C -0.115226 -0.196861 -1.857329
C -1.270338 -0.357905 0.405041
C 0.755769 1.178967 0.123779
C 1.074516 0.375508 -2.649433
C 1.233902 1.871457 -2.314736
C 1.056113 -1.353246 0.050563
C 1.267577 2.124883 -0.810247
C -2.238463 0.843584 0.344586
C 0.854320 1.478112 1.509963
C -3.643235 0.477408 0.875340
C 1.830931 3.338734 -0.333687
C 2.435727 -1.173355 0.332101
C 0.555611 -2.684877 0.034200
C 1.414917 2.683616 1.974448
C 1.904288 3.629837 1.042685
C 3.281019 -2.276008 0.595701
C 1.395104 -3.788343 0.297757
C 2.766414 -3.590939 0.581262
C -4.661688 -0.243134 -1.258469
C -5.454420 -1.181013 0.854610
H -1.018268 0.396774 -2.104805
H -0.323059 -1.240586 -2.156708
H -1.791617 -1.220128 -0.050616
H -1.105368 -0.627411 1.467255
H 0.909821 0.245590 -3.735869
H 1.998941 -0.175265 -2.389532
H 0.382682 2.429587 -2.759765
H 2.149992 2.284022 -2.779577
H -1.850355 1.681380 0.954053
H -2.317926 1.233820 -0.688567
H 0.491159 0.742973 2.237845
H -3.548263 0.142106 1.927327
H -4.282522 1.399746 0.885717
H 2.223551 4.059406 -1.062895
H 2.853644 -0.161834 0.356376
H -0.501851 -2.869044 -0.185283
H 1.474542 2.883080 3.050341
H 2.344700 4.572588 1.386623
H 4.341975 -2.103929 0.811763
H 0.978633 -4.802359 0.282161
H 3.419961 -4.446235 0.787047
H -3.761055 0.046567 -1.826626
H -5.388293 0.609133 -1.304044
H -5.117494 -1.109366 -1.770800
H -5.866195 -2.043479 0.299595
H -6.285304 -0.444896 1.009235
H -5.126881 -1.537666 1.847564


