%chk=000095282.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095282

0 1
 I    7.081600      0.6734000     -5.7000000E-02
 O   -1.695400      -3.156400      0.3318000    
 O   0.4900000      -2.050400     -0.6669000    
 O   -5.094400       2.103400     -3.1800002E-02
 O   -3.091000       2.924400     -0.3943000    
 N   0.8497000      0.1063000      0.1844000    
 N   -3.854800       1.957000     -0.1594000    
 C   -1.378700     -0.8098000     -5.0700001E-02
 C   -1.923800      0.4684000     -0.1728000    
 C   -2.208600      -1.899900      0.2108000    
 C   5.9400000E-02 -0.9846000     -0.2003000    
 C    2.259300      0.2348000      0.1304000    
 C   -3.299000      0.6564000     -3.3599999E-02
 C   -3.583800      -1.711900      0.3500000    
 C   -4.129000     -0.4338000      0.2278000    
 C    3.015500     -0.8179000     -0.3555000    
 C    2.848500       1.410100      0.5638000    
 C    4.403600     -0.6915000     -0.4095000    
 C    4.236600       1.536400      0.5096000    
 C    5.014100      0.4857000      2.3100000E-02
 H   -1.291300       1.316600     -0.4199000    
 H   0.3866000      0.9123000      0.5959000    
 H   -4.242100      -2.552400      0.5534000    
 H   -5.204500     -0.3253000      0.3419000    
 H    2.619500      -1.758300     -0.7080000    
 H    2.252100       2.234600      0.9442000    
 H    4.992100      -1.521900     -0.7920000    
 H    4.692000       2.462300      0.8518000    
 H   -2.419900      -3.779800      0.5115000    


%chk=000095282-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095282

0 1
I 7.220129 0.825531 -0.093233
O -1.613360 -3.016360 0.747686
O 0.469717 -1.919858 -1.069176
O -5.283290 2.088291 -0.366741
O -3.217733 2.915152 -0.881955
N 0.888302 -0.035470 0.280190
N -4.003580 1.962221 -0.498808
C -1.411349 -0.759972 -0.046585
C -2.007414 0.482539 -0.340325
C -2.241807 -1.825960 0.414780
C 0.060518 -0.983954 -0.325660
C 2.300397 0.106949 0.165474
C -3.401049 0.651927 -0.186329
C -3.642214 -1.641079 0.556889
C -4.229819 -0.402730 0.253804
C 3.102306 -0.747157 -0.637594
C 2.913149 1.160994 0.894576
C 4.496530 -0.536784 -0.704980
C 4.305174 1.368137 0.827203
C 5.092963 0.514705 0.023130
H -1.414653 1.319734 -0.721318
H 0.425149 0.625524 0.909508
H -4.267922 -2.468415 0.912986
H -5.305184 -0.235870 0.353843
H 2.636381 -1.561361 -1.194846
H 2.304800 1.828920 1.517518
H 5.106619 -1.198028 -1.326823
H 4.761987 2.184426 1.393420
H -2.260449 -3.713852 1.022069


