%chk=000049706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049706

0 1
 N    1.139300      0.1881000     -0.1938000    
 N    4.299000     -0.1543000      0.5372000    
 N   -3.025100      0.3421000     -0.1627000    
 C  -0.2594000      0.2302000     -0.1777000    
 C  -0.9905000     -0.9420000     -0.3885000    
 C    1.842000      0.3892000      -1.460700    
 C    1.865000     -4.1700002E-02   1.055500    
 C  -0.2776000      -2.245700     -0.6207000    
 C    3.163900       1.139300      -1.306400    
 C   -2.378400     -0.8349000     -0.3753000    
 C  -0.5571000      -3.282600      0.4675000    
 C    3.102200     -0.9291000      0.8852000    
 C   -3.265700      -2.030300     -0.5999000    
 C   -1.902200      -3.992100      0.3180000    
 C    4.330500      0.2506000     -0.8722000    
 C   -3.125900      -3.092800      0.4887000    
 C  -0.9056000       1.452800      4.2399999E-02
 C   -2.310700       1.462700      4.2199999E-02
 C    5.507200     -0.9253000      0.8497000    
 C  -0.1868000       2.641300      0.2589000    
 C   -2.959000       2.675300      0.2611000    
 C  -0.8581000       3.841200      0.4752000    
 C   -2.247100       3.857800      0.4763000    
 H    1.208000      0.9809000      -2.134500    
 H    2.001800     -0.5737000      -1.959400    
 H    1.198800     -0.5445000       1.770000    
 H    2.130400      0.9166000       1.519000    
 H  -0.5683000      -2.635900      -1.604800    
 H   0.8052000      -2.127800     -0.6828000    
 H    3.424500       1.553200      -2.289500    
 H    3.061000       1.997400     -0.6318000    
 H   0.2242000      -4.051400      0.4116000    
 H  -0.4783000      -2.829900       1.463700    
 H    3.269400      -1.393700       1.866500    
 H    2.931300      -1.752500      0.1813000    
 H   -4.309100      -1.689100     -0.6103000    
 H   -3.075600      -2.452200      -1.594000    
 H   -1.947300      -4.493100     -0.6570000    
 H   -1.954500      -4.786000       1.073600    
 H    4.389500     -0.6264000      -1.530600    
 H    5.247400      0.8303000      -1.042400    
 H   -3.117000      -2.631200       1.483900    
 H   -4.013300      -3.737200      0.4494000    
 H    6.407800     -0.3400000      0.6321000    
 H    5.557000      -1.861700      0.2820000    
 H    5.547200      -1.165600       1.918100    
 H   0.8985000       2.670800      0.2658000    
 H   -4.046800       2.713700      0.2664000    
 H  -0.3002000       4.757500      0.6419000    
 H   -2.780600       4.788800      0.6441000    


%chk=000049706-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049706

0 1
N 1.188722 0.173082 -0.214343
N 4.388950 -0.378245 0.496340
N -3.116082 0.325651 -0.313916
C -0.237701 0.211922 -0.228522
C -1.014367 -0.966605 -0.354071
C 1.947960 0.853182 -1.284450
C 1.894247 -0.473342 0.909556
C -0.371651 -2.329970 -0.541185
C 3.281310 1.495313 -0.834173
C -2.456388 -0.852756 -0.365238
C -0.583618 -3.325954 0.639347
C 3.183700 -1.242166 0.542028
C -3.336938 -2.089509 -0.460893
C -1.962056 -4.027922 0.628565
C 4.459743 0.507761 -0.689042
C -3.184749 -3.085017 0.725391
C -0.927069 1.485772 -0.111666
C -2.370466 1.490913 -0.197337
C 5.636245 -1.158156 0.651110
C -0.252450 2.725767 0.130098
C -3.077073 2.733580 -0.122212
C -0.965180 3.925386 0.218807
C -2.388036 3.933483 0.072636
H 1.294758 1.627518 -1.725261
H 2.178765 0.140144 -2.111740
H 1.183997 -1.173129 1.384170
H 2.179597 0.268545 1.688721
H -0.779206 -2.802134 -1.459385
H 0.708527 -2.184408 -0.717816
H 3.570196 2.227073 -1.614387
H 3.149435 2.059835 0.108554
H 0.204545 -4.104025 0.589931
H -0.446055 -2.794553 1.602934
H 3.359659 -1.990417 1.337758
H 3.029426 -1.811360 -0.411940
H -4.376579 -1.723306 -0.510121
H -3.135763 -2.633859 -1.408113
H -2.047596 -4.621974 -0.306110
H -2.001206 -4.754745 1.465033
H 4.532647 -0.088178 -1.639934
H 5.398808 1.087849 -0.602862
H -3.150823 -2.515296 1.675322
H -4.098972 -3.709557 0.767131
H 6.498366 -0.469094 0.704867
H 5.824691 -1.875289 -0.188133
H 5.602315 -1.735237 1.592410
H 0.833017 2.718377 0.273525
H -4.167718 2.697478 -0.207397
H -0.434875 4.864311 0.414176
H -2.936108 4.880358 0.134136


