%chk=000128403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128403

0 1
 O   0.5333000      0.1931000      0.9188000    
 O   9.0899996E-02  0.2589000      -1.370900    
 N    6.600700      -1.431300     -0.5059000    
 N    6.711900      0.9022000     -0.4474000    
 C   -4.060200     -0.1904000     -0.3844000    
 C   -1.702100      0.3717000      0.2366000    
 C    1.892100      9.6699998E-02  0.6070000    
 C   -2.622200     -0.1613000     -0.6020000    
 C    4.570200     -9.3099996E-02 -3.5000001E-03
 C    2.445000      -1.153300      0.4396000    
 C    2.625100       1.255500      0.4814000    
 C    3.801800      -1.249500      0.1303000    
 C    3.981900       1.159400      0.1721000    
 C  -0.2769000      0.2724000     -0.2043000    
 C   -4.643100      -1.268500      0.2816000    
 C   -4.856100      0.8599000     -0.8414000    
 C   -2.002500       1.081800       1.525000    
 C   -6.022000      -1.296200      0.4908000    
 C   -6.234900      0.8323000     -0.6322000    
 C    5.985000     -0.1942000     -0.3253000    
 C   -6.817800     -0.2459000      3.4000002E-02
 H   -2.309000     -0.6478000      -1.523800    
 H    1.846300      -2.052700      0.5450000    
 H    2.166900       2.229900      0.6193000    
 H    4.207900      -2.247100      4.9999999E-03
 H    4.551300       2.079900      7.5300001E-02
 H   -4.036200      -2.094900      0.6437000    
 H   -4.416800       1.707300      -1.362300    
 H   -1.479300       2.043400       1.559100    
 H   -1.676600      0.4783000       2.378400    
 H   -3.067900       1.291800       1.655800    
 H   -6.475900      -2.135600       1.009400    
 H   -6.854900       1.650100     -0.9878000    
 H   -7.891400     -0.2673000      0.1969000    
 H    7.589600      -1.481400     -0.7285000    
 H    6.119000      -2.318500     -0.4305000    
 H    7.674500      0.6271000     -0.6725000    


%chk=000128403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128403

0 1
O 0.596466 0.448124 0.267254
O -0.233806 -1.662983 -0.361363
N 6.847744 -1.192230 -0.713391
N 6.999373 0.803920 0.648586
C -4.294687 -0.398690 -0.000745
C -1.777122 0.164044 0.200982
C 1.989955 0.171045 0.170307
C -2.850857 -0.662586 -0.055882
C 4.810759 -0.055934 0.063717
C 2.570172 -1.077320 -0.156220
C 2.801290 1.296177 0.454984
C 3.979149 -1.172196 -0.203614
C 4.199068 1.179967 0.402932
C -0.441491 -0.477754 -0.000168
C -5.163010 -1.530494 0.084364
C -4.893931 0.896142 -0.064342
C -1.851569 1.599829 0.681423
C -6.561745 -1.379215 0.144306
C -6.295253 1.045613 -0.017118
C 6.308197 -0.124772 0.014144
C -7.135994 -0.086460 0.097492
H -2.581281 -1.694646 -0.326072
H 1.941111 -1.943598 -0.358447
H 2.318886 2.244223 0.710830
H 4.414815 -2.156287 -0.412845
H 4.852458 2.027365 0.629244
H -4.722449 -2.534543 0.112935
H -4.269572 1.783250 -0.190899
H -1.937670 2.308472 -0.165597
H -0.940241 1.871024 1.233936
H -2.723898 1.749845 1.340297
H -7.204101 -2.263328 0.219901
H -6.734611 2.047540 -0.077976
H -8.223969 0.036008 0.137107
H 7.855962 -1.325785 -0.749889
H 6.269906 -1.771324 -1.317971
H 8.029545 0.700260 0.540200


