%chk=000049606.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049606

0 1
 N  -0.2063000      -1.038700      0.2494000    
 N    2.162700      0.3378000     -0.5422000    
 N    3.566500       2.151400     -0.2162000    
 N    4.543300      9.5399998E-02 -0.3332000    
 C   -1.237300     -8.4700003E-02  8.5000001E-02
 C   0.5705000      -1.477700     -0.8905000    
 C   7.2200000E-02  -1.595100       1.556200    
 C   -1.184600       1.125400      0.7770000    
 C   -2.307500     -0.3542000     -0.7680000    
 C    2.034400      -1.112700     -0.7051000    
 C  -0.1337000      -3.097500       1.538900    
 C   -2.202100       2.065800      0.6160000    
 C   -3.325000      0.5863000     -0.9291000    
 C  -5.1199999E-02   1.442400       1.697700    
 C   -2.391500      -1.641300      -1.522600    
 C   -3.272200       1.796300     -0.2370000    
 C    3.361500      0.8012000     -0.3762000    
 H   0.4666000      -2.555200      -1.055900    
 H   0.2362000     -0.9869000      -1.812900    
 H    1.088300      -1.358900       1.888800    
 H  -0.6068000      -1.188800       2.315800    
 H    2.458500      -1.641600      0.1559000    
 H    2.582300      -1.437300      -1.598600    
 H   -1.128500      -3.363200       1.167300    
 H   0.6113000      -3.606500      0.9199000    
 H  -3.7300002E-02  -3.498600       2.553500    
 H   -2.175300       3.011700       1.150500    
 H   -4.164200      0.3924000      -1.591900    
 H   0.8934000      0.9759000       1.429700    
 H   0.1438000       2.521600       1.699900    
 H  -0.3088000       1.150800       2.721200    
 H   -1.819000      -1.588200      -2.453000    
 H   -2.059100      -2.495400     -0.9260000    
 H   -3.431100      -1.860500      -1.794600    
 H   -4.064400       2.528700     -0.3625000    
 H    2.789200       2.802900     -0.2228000    
 H    4.495900       2.535000     -8.4500000E-02
 H    5.429900      0.5690000     -0.1964000    
 H    4.576100     -0.9126000     -0.4365000    


%chk=000049606-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049606

0 1
N -0.311196 -1.090602 0.314963
N 2.360070 0.287893 -0.218755
N 3.705960 2.199794 -0.436028
N 4.736003 0.111821 -0.724086
C -1.308275 -0.080992 0.107505
C 0.633778 -1.429936 -0.758241
C -0.089146 -1.658365 1.654823
C -1.306915 1.128498 0.878786
C -2.327835 -0.297056 -0.878831
C 2.127590 -1.148658 -0.436563
C -0.121773 -3.205327 1.673328
C -2.334863 2.079891 0.666182
C -3.320870 0.692788 -1.077754
C -0.180995 1.437475 1.849193
C -2.383888 -1.589281 -1.675127
C -3.336975 1.874533 -0.306452
C 3.545327 0.804674 -0.442698
H 0.557557 -2.505017 -1.043179
H 0.364569 -0.832611 -1.645826
H 0.870042 -1.310629 2.101601
H -0.895643 -1.282733 2.308614
H 2.416718 -1.735554 0.464816
H 2.718634 -1.565870 -1.291042
H -1.089150 -3.579098 1.291895
H 0.683328 -3.641485 1.053276
H 0.014943 -3.576298 2.706750
H -2.327132 3.006430 1.254233
H -4.103362 0.518210 -1.827083
H 0.786646 1.154047 1.391193
H -0.168344 2.514443 2.095649
H -0.275611 0.885321 2.804487
H -1.689678 -1.583119 -2.538345
H -2.095329 -2.447030 -1.040567
H -3.399523 -1.762699 -2.071887
H -4.119098 2.626348 -0.462695
H 2.843216 2.728035 -0.312695
H 4.565511 2.602282 -0.064734
H 5.479008 0.565198 -1.251572
H 4.753403 -0.900921 -0.646137


