%chk=000018753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018753

0 1
 N   -4.541200     -0.1206000     -5.8600001E-02
 N  -0.8708000     -0.2462000     -0.5635000    
 N   0.2484000       1.807200     -0.3021000    
 N    2.614400       1.868800      0.1503000    
 C   -3.237600     -0.7341000     -0.2770000    
 C   -2.160000      0.3355000     -0.3772000    
 C   0.3312000      0.4634000     -0.3181000    
 C    1.511500     -0.2447000     -0.1099000    
 C    2.661700      0.5253000      0.1275000    
 C   -4.533200      0.6883000       1.162000    
 C   -5.586800      -1.142800      1.7800000E-02
 C    1.572800      -1.648900     -0.1313000    
 C    3.862100     -0.1481000      0.3404000    
 C    2.785500      -2.295800      8.4700003E-02
 C    3.931300      -1.544200      0.3207000    
 C    1.410500       2.436700     -6.5600000E-02
 H   -3.250400      -1.309500      -1.211900    
 H   -2.988400      -1.441800      0.5256000    
 H   -2.117900      0.9253000      0.5438000    
 H   -2.380700       1.022400      -1.203600    
 H  -0.7996000      -1.065900      -1.156300    
 H   -3.991300       1.629300       1.025900    
 H   -4.122100      0.1484000       2.022700    
 H   -5.554300      0.9939000       1.422700    
 H   -6.574100     -0.6782000      0.1187000    
 H   -5.437100      -1.824800      0.8626000    
 H   -5.613800      -1.735100     -0.9037000    
 H   0.6963000      -2.266700     -0.3039000    
 H    4.773400      0.4169000      0.5275000    
 H    2.837000      -3.380200      7.1099997E-02
 H    4.882000      -2.041300      0.4908000    
 H    1.379100       3.519300     -4.5800000E-02


%chk=000018753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018753

0 1
N -4.493381 -0.106805 0.051690
N -0.854511 -0.580416 -0.972649
N -0.195901 1.234018 0.354078
N 2.084758 1.508471 1.194802
C -3.112577 -0.636017 0.122769
C -2.243334 -0.095406 -1.041600
C 0.135545 0.070787 -0.273047
C 1.496466 -0.460169 -0.212363
C 2.440794 0.315609 0.557371
C -4.600234 1.291529 0.522684
C -5.480601 -0.981627 0.716833
C 1.934435 -1.662047 -0.845860
C 3.789242 -0.142775 0.672856
C 3.262249 -2.090827 -0.719949
C 4.193351 -1.325876 0.045734
C 0.802171 1.884673 1.043895
H -3.160819 -1.739691 0.050837
H -2.606625 -0.387067 1.087582
H -2.209754 1.004918 -1.006872
H -2.689917 -0.405959 -2.002652
H -0.633433 -1.470797 -1.415046
H -3.894321 1.938862 -0.023294
H -4.384747 1.398846 1.615604
H -5.621656 1.666921 0.332582
H -6.497871 -0.583534 0.549060
H -5.326744 -1.070017 1.822467
H -5.436663 -1.996102 0.281890
H 1.243674 -2.269586 -1.444216
H 4.480034 0.466505 1.263531
H 3.588730 -3.014520 -1.209685
H 5.229354 -1.669612 0.138904
H 0.500189 2.819513 1.528365


