%chk=000088410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088410

0 1
 O   -4.098000     -0.5553000      0.2479000    
 O    2.217400      0.4708000      0.1666000    
 N   -1.442200      0.3431000     -0.2438000    
 N    5.747200     -0.5264000     -0.1149000    
 C   -1.710900     -0.9778000      0.3414000    
 C   -2.516700       1.279900      0.1134000    
 C  -0.1440000      0.8507000      0.1948000    
 C   -3.075200      -1.481100     -0.1212000    
 C   -3.862400      0.7234000     -0.3428000    
 C   0.9756000     -6.8899997E-02 -0.2660000    
 C    3.309000     -0.3458000     -0.2344000    
 C    4.600200      0.2874000      0.2590000    
 H   -1.691200     -0.9241000       1.437500    
 H  -0.9886000      -1.731400      1.7899999E-02
 H   -2.351800       2.250200     -0.3689000    
 H   -2.537200       1.438700       1.199500    
 H  -0.1004000      0.9737000       1.285400    
 H   3.4400001E-02   1.847600     -0.2290000    
 H   -3.101700      -1.642400      -1.205900    
 H   -3.303600      -2.437100      0.3610000    
 H   -4.669200       1.390900     -2.3800001E-02
 H   -3.915500      0.6375000      -1.435000    
 H   0.9740000     -0.1557000      -1.359400    
 H   0.8949000      -1.067400      0.1717000    
 H    3.191500      -1.348800      0.1942000    
 H    3.321800     -0.4295000      -1.328000    
 H    4.705800       1.293400     -0.1624000    
 H    4.565200      0.4091000       1.347800    
 H    5.665600      -1.450900      0.3063000    
 H    6.595800     -0.1120000      0.2682000    


%chk=000088410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088410

0 1
O -4.303093 -0.421694 0.069503
O 2.254510 0.347100 0.272207
N -1.469014 0.218981 -0.077638
N 5.884247 -0.377354 -0.169581
C -1.947750 -1.031279 0.569167
C -2.496612 1.283985 0.058601
C -0.130903 0.644755 0.398991
C -3.279566 -1.472339 -0.059255
C -3.820256 0.815855 -0.567511
C 0.992119 -0.154882 -0.276909
C 3.425548 -0.323973 -0.302893
C 4.675637 0.308539 0.325479
H -2.092471 -0.886186 1.670274
H -1.198530 -1.832274 0.429021
H -2.144407 2.192185 -0.465887
H -2.676450 1.550780 1.130938
H -0.023099 0.557392 1.507325
H 0.012366 1.710597 0.143903
H -3.121117 -1.710820 -1.133287
H -3.693861 -2.352273 0.460369
H -4.620140 1.558777 -0.412241
H -3.674179 0.643387 -1.655811
H 0.950973 -0.005561 -1.377053
H 0.897011 -1.245051 -0.072521
H 3.387969 -1.415927 -0.080220
H 3.453972 -0.199802 -1.406107
H 4.720801 1.369115 0.019757
H 4.555362 0.295864 1.432856
H 6.035390 -1.314070 0.213717
H 6.735344 0.187972 -0.168094


