%chk=000089526.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089526

0 1
 O   -5.705000      0.9552000     -0.6113000    
 N    1.329000     -0.1853000      8.6499996E-02
 N   -1.472800      0.3304000     -0.2447000    
 C   0.8550000       1.165000     -0.2744000    
 C  -0.5826000       1.400300      0.2161000    
 C    1.763900       2.231300      0.3403000    
 C   0.3882000      -1.293500     -0.1248000    
 C   -1.028300     -0.9405000      0.3315000    
 C    3.175500       2.071800     -0.1930000    
 C    2.714600     -0.4260000      3.2699998E-02
 C   -2.855500      0.6119000      0.1412000    
 C    3.639500      0.6429000     -7.4100003E-02
 C   -3.784600     -0.4852000     -0.3899000    
 C   -5.273400     -0.2818000     -3.9799999E-02
 C    3.264200      -1.722700      0.1124000    
 C    5.025700      0.4033000     -0.1291000    
 C   -5.517100     -0.2297000       1.470000    
 C   -6.107000      -1.405000     -0.6655000    
 C    4.644600      -1.952700      6.9499999E-02
 C    5.526000     -0.8899000     -5.3599998E-02
 H   0.8717000       1.256900      -1.370000    
 H  -0.6047000       1.474500       1.312500    
 H  -0.9280000       2.364600     -0.1785000    
 H    1.771100       2.135100       1.434700    
 H    1.397200       3.237800      0.1070000    
 H   0.6726000      -2.179300      0.4517000    
 H   0.3847000      -1.565600      -1.188000    
 H   -1.634600      -1.789700      9.3000000E-03
 H   -1.064900     -0.9072000       1.429000    
 H    3.844200       2.738200      0.3645000    
 H    3.213300       2.364400      -1.249400    
 H   -2.937500      0.6941000       1.231200    
 H   -3.164500       1.573900     -0.2849000    
 H   -3.673100     -0.5331000      -1.481700    
 H   -3.524900      -1.469400      9.1000004E-03
 H    2.637500      -2.604500      0.2068000    
 H    5.720400       1.233700     -0.2310000    
 H   -6.590200     -0.1607000       1.684000    
 H   -5.123600      -1.118400       1.973700    
 H   -5.068900      0.6619000       1.920300    
 H   -5.838100      -2.384100     -0.2557000    
 H   -7.176400      -1.238100     -0.4928000    
 H   -5.972400      -1.435400      -1.752800    
 H    5.024300      -2.968700      0.1307000    
 H    6.596300      -1.066400     -9.2299998E-02
 H   -5.557700      0.9113000      -1.571600    


%chk=000089526-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089526

0 1
O -5.512635 1.154951 -0.628481
N 1.410367 -0.225106 -0.024007
N -1.476095 0.117888 -0.080670
C 0.814974 1.107349 -0.308219
C -0.574880 1.210338 0.355619
C 1.730992 2.239351 0.188765
C 0.509330 -1.334810 -0.398412
C -0.868333 -1.187951 0.268041
C 3.131008 2.106342 -0.436847
C 2.817807 -0.400591 -0.004899
C -2.848618 0.290832 0.460681
C 3.700797 0.719281 -0.176468
C -3.868778 -0.661832 -0.195265
C -5.346822 -0.204600 -0.036422
C 3.403725 -1.683574 0.220885
C 5.096546 0.525838 -0.101241
C -5.763066 -0.023424 1.434116
C -6.289376 -1.190806 -0.762425
C 4.801770 -1.852028 0.275634
C 5.667805 -0.747501 0.115785
H 0.667333 1.216419 -1.409786
H -0.433374 1.209316 1.468186
H -1.030939 2.176707 0.069898
H 1.805506 2.191350 1.292452
H 1.273168 3.210755 -0.077043
H 0.942209 -2.298636 -0.093373
H 0.368214 -1.358536 -1.503531
H -1.522430 -2.002072 -0.092164
H -0.752666 -1.299871 1.377700
H 3.813693 2.876654 -0.032458
H 3.058863 2.291989 -1.528975
H -2.862725 0.163472 1.573382
H -3.166434 1.328500 0.244450
H -3.628207 -0.720208 -1.277164
H -3.775527 -1.687673 0.212148
H 2.773030 -2.563941 0.374173
H 5.748902 1.400369 -0.224960
H -6.824829 0.273019 1.489171
H -5.626715 -0.963638 1.997951
H -5.164962 0.768914 1.913800
H -6.256607 -2.192932 -0.296386
H -7.328503 -0.820072 -0.720509
H -6.002995 -1.305366 -1.826161
H 5.211471 -2.853440 0.452787
H 6.754342 -0.873333 0.162795
H -5.302634 1.097910 -1.596755


