%chk=000176932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176932

0 1
 N   -1.377800       1.714700      -1.103300    
 N    1.071600      -1.866800     -0.2230000    
 C   -2.182500      0.4890000      0.8596000    
 C  -0.9353000       1.174700      0.2034000    
 C   -2.596200     -0.7386000     -1.5300000E-02
 C   -2.997800     -0.1846000      -1.397200    
 C   0.1787000      0.1616000      5.1300000E-02
 C   -1.923400      0.7147000      -2.033800    
 C   -1.420000      -1.731000     -0.1418000    
 C   -1.951500      0.1183000       2.330000    
 C  -0.1029000      -1.183000     -0.1156000    
 C    1.594600      0.2959000      8.6300001E-02
 C  -0.3882000       2.568000      -1.752400    
 C    2.128300     -0.9859000     -9.6199997E-02
 C   -1.669500       1.348800       3.165700    
 C   -1.638200      -3.052700     -0.2231000    
 C    2.480600       1.379000      0.2561000    
 C    3.506400      -1.230200     -0.1235000    
 C    3.860100       1.146700      0.2303000    
 C    4.363000     -0.1386000      4.2399999E-02
 H   -3.017100       1.207100      0.8459000    
 H  -0.5991000       2.011400      0.8236000    
 H   -3.462700      -1.236700      0.4379000    
 H   -3.919500      0.4016000      -1.282300    
 H   -3.237200      -1.005800      -2.084000    
 H   -1.123600      9.1799997E-02  -2.453500    
 H   -2.385000       1.229100      -2.886100    
 H   -1.135900     -0.5999000       2.461300    
 H   -2.856700     -0.3659000       2.717100    
 H    1.173800      -2.863600     -0.3554000    
 H  -2.9899999E-02   3.343100      -1.066200    
 H  -0.8391000       3.092300      -2.602500    
 H   0.4737000       2.005300      -2.125600    
 H  -0.6739000       1.757700       2.971800    
 H   -2.412200       2.134400       2.994200    
 H   -1.702600       1.088600       4.229300    
 H   -2.650800      -3.445100     -0.2236000    
 H  -0.8404000      -3.783800     -0.2930000    
 H    2.104400       2.387300      0.4039000    
 H    3.900200      -2.231000     -0.2661000    
 H    4.545900       1.979800      0.3588000    
 H    5.438300     -0.2967000      2.6200000E-02


%chk=000176932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176932

0 1
N -1.396689 1.738496 -1.138393
N 1.094486 -1.910800 -0.193827
C -2.180800 0.505890 0.865371
C -0.950215 1.183587 0.191381
C -2.583947 -0.714298 -0.021075
C -2.979195 -0.174123 -1.430843
C 0.169561 0.165811 0.075852
C -1.864045 0.680110 -2.070009
C -1.462764 -1.764595 -0.107978
C -1.967363 0.122365 2.349078
C -0.116123 -1.200046 -0.095220
C 1.608242 0.307275 0.076221
C -0.396230 2.625834 -1.767527
C 2.165062 -1.016305 -0.092840
C -1.713858 1.327585 3.281227
C -1.737202 -3.100514 -0.202032
C 2.495016 1.410196 0.210006
C 3.556668 -1.250452 -0.133818
C 3.883596 1.180528 0.174553
C 4.408977 -0.135326 0.003248
H -3.007020 1.244014 0.811460
H -0.623809 2.054071 0.790443
H -3.473032 -1.205241 0.421414
H -3.886179 0.450593 -1.313909
H -3.228779 -1.014394 -2.105848
H -1.025036 0.017573 -2.397984
H -2.255146 1.178307 -2.977456
H -1.130731 -0.596541 2.439032
H -2.876112 -0.413910 2.692458
H 1.176244 -2.916393 -0.323178
H -0.113393 3.424360 -1.057261
H -0.844161 3.105255 -2.657485
H 0.535080 2.101855 -2.090167
H -0.754782 1.827801 3.053072
H -2.519333 2.081109 3.188767
H -1.672094 1.006162 4.338225
H -2.769009 -3.466984 -0.186715
H -0.957709 -3.867043 -0.293997
H 2.104096 2.425787 0.337614
H 3.966570 -2.258174 -0.265377
H 4.576987 2.022598 0.277442
H 5.494770 -0.281021 -0.022322


