%chk=000085932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085932

0 1
 O   -2.999700     -0.3318000     -0.1756000    
 N  -0.8346000     -0.5208000     -0.8931000    
 N   -1.390600      0.8927000      0.8957000    
 C   0.8623000       1.121200     -0.1403000    
 C   0.6020000     -0.2887000     -0.7358000    
 C    1.196200      -1.449100      6.8499997E-02
 C  -9.4999997E-03   1.285700       1.115900    
 C   0.4950000       2.204900      -1.180900    
 C    2.339700       1.328300      0.2378000    
 C   0.6425000      -1.450000       1.489800    
 C   0.9107000      -2.777900     -0.6241000    
 C   -1.814100     -1.4400000E-02 -5.7999998E-02
 H    1.022500     -0.3262000      -1.749500    
 H    2.287000      -1.349700      0.1148000    
 H   0.3494000      0.8630000       2.049100    
 H  -6.4999998E-02   2.358100       1.352100    
 H  -0.5531000       2.148000      -1.491700    
 H   0.6615000       3.211300     -0.7796000    
 H    1.111000       2.104200      -2.081900    
 H    2.994800       1.125700     -0.6168000    
 H    2.520200       2.362000      0.5557000    
 H    2.656900      0.6873000       1.065500    
 H   -1.130900      -1.157000      -1.627000    
 H   -2.091700       1.271400       1.525000    
 H  -0.4345000      -1.341200       1.597600    
 H   0.8428000      -2.441200       1.924000    
 H    1.207700     -0.7956000       2.153900    
 H  -0.1510000      -3.044700     -0.5966000    
 H    1.458600      -3.588700     -0.1305000    
 H    1.234200      -2.756400      -1.670300    


%chk=000085932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085932

0 1
O -3.160364 -0.104148 -0.171556
N -0.927706 -0.501570 -0.723231
N -1.490037 1.191062 0.819549
C 0.825494 1.152806 -0.106055
C 0.536247 -0.303791 -0.628165
C 1.238028 -1.507545 0.095739
C -0.081642 1.481640 1.114751
C 0.506130 2.150404 -1.255916
C 2.305228 1.324476 0.309299
C 0.786737 -1.739126 1.556543
C 1.021049 -2.801788 -0.730784
C -1.926447 0.173809 -0.022991
H 0.933171 -0.326522 -1.667331
H 2.325956 -1.292101 0.087273
H 0.265748 0.919951 2.005453
H 0.017774 2.558799 1.350689
H -0.535052 2.046199 -1.605313
H 0.650386 3.193120 -0.916054
H 1.178460 1.979052 -2.117202
H 2.984006 1.052834 -0.520263
H 2.504696 2.381107 0.568839
H 2.571064 0.706756 1.185605
H -1.287375 -1.221749 -1.349719
H -2.233068 1.667342 1.329319
H -0.315910 -1.786778 1.621640
H 1.187743 -2.698369 1.933016
H 1.139673 -0.946677 2.240166
H -0.036661 -3.124793 -0.695627
H 1.629093 -3.629452 -0.322610
H 1.307878 -2.664548 -1.791363


