%chk=000125915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125915

0 1
 I    5.450500     -0.4754000      -1.640500    
 O   0.9616000      -1.024400       1.828900    
 O   -3.366400       1.883400     -0.7661000    
 O   -1.452900       2.107800      0.2952000    
 N  -0.9808000     -0.6590000     -0.2598000    
 N   -3.173200     -0.8656000     -0.2163000    
 N   -2.336600       1.376700     -0.2365000    
 C   0.8894000      0.2175000       1.128300    
 C   0.3431000     -3.5000000E-02 -0.2816000    
 C    2.273600      0.8857000       1.123000    
 C   -2.172500     -1.3400000E-02 -0.2379000    
 C   -1.208400      -1.995000     -0.2517000    
 C    3.323400      0.1018000      0.3826000    
 C   -2.578900      -2.102600     -0.2242000    
 C    4.028100      0.5975000     -0.6433000    
 H   0.2113000      0.8571000       1.703000    
 H   0.3000000      0.8730000     -0.8906000    
 H   0.9833000     -0.7455000     -0.8201000    
 H    2.181900       1.897000      0.7084000    
 H    2.618800      0.9912000       2.159200    
 H  -0.4197000      -2.734500     -0.2647000    
 H    3.507600     -0.9118000      0.7309000    
 H   5.7700001E-02  -1.276300       2.082500    
 H   -3.167900      -3.008100     -0.2098000    
 H    3.856700       1.610000     -0.9923000    


%chk=000125915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125915

0 1
I 5.634371 -0.798745 -1.476482
O 1.031282 -0.981422 1.818760
O -3.751646 1.797517 -0.253198
O -1.524254 2.164167 0.134283
N -0.991223 -0.583725 -0.305308
N -3.246771 -0.978105 -0.226103
N -2.545812 1.384533 -0.111051
C 0.887086 0.301564 1.106057
C 0.340521 0.066031 -0.323382
C 2.291411 0.944126 1.069247
C -2.281081 -0.034230 -0.215606
C -1.177985 -1.961864 -0.366806
C 3.331841 0.044440 0.425623
C -2.567038 -2.183932 -0.317213
C 4.140380 0.451472 -0.578628
H 0.197015 0.979112 1.646339
H 0.265474 1.026090 -0.855318
H 1.027315 -0.603417 -0.868222
H 2.232862 1.921207 0.554472
H 2.585247 1.138306 2.118839
H -0.335811 -2.643294 -0.454289
H 3.400819 -0.971117 0.834546
H 0.164389 -1.247338 2.214623
H -3.100001 -3.130972 -0.341070
H 4.121309 1.451698 -1.023513


