%chk=000130597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130597

0 1
 I    4.948300       1.263200     -0.6016000    
 O    2.427900     -0.5568000     -0.2266000    
 O   -3.202900       1.711200       1.378100    
 O   -3.627900     -0.5337000       1.567100    
 N    3.519600       4.118400      8.2999997E-02
 N    1.987800      -5.283600      0.3391000    
 C  -0.3829000     -6.7400001E-02  0.4251000    
 C   0.6623000       1.026900      0.3552000    
 C   0.2487000      -1.444400      0.4267000    
 C   -1.363600      6.4599998E-02 -0.7022000    
 C    1.986300      0.7214000      2.1199999E-02
 C    1.596700      -1.605700      8.8000000E-02
 C   0.3175000       2.363500      0.6100000    
 C  -0.5099000      -2.579500      0.7526000    
 C   -2.713100      0.2980000     -0.4529000    
 C  -0.8982000     -5.0500002E-02  -2.009200    
 C    2.944000       1.734400     -7.9599999E-02
 C    2.171600      -2.879200      5.2499998E-02
 C    1.276200       3.373000      0.5167000    
 C   6.7000002E-02  -3.849600      0.7244000    
 C    2.587900       3.058700      0.1687000    
 C    1.406100      -3.999400      0.3711000    
 C   -3.604600      0.4168000      -1.519000    
 C   -1.789800      6.8700001E-02  -3.075300    
 C   -3.143000      0.3021000      -2.830300    
 C   -3.221400      0.4227000      0.9065000    
 C   -3.690300       1.905800       2.710600    
 H  -0.8533000      3.9700001E-02   1.410700    
 H  -0.7004000       2.629900      0.8789000    
 H   -1.557100      -2.482100       1.026300    
 H   0.1489000     -0.2321000      -2.233100    
 H    3.219200      -2.990700     -0.2186000    
 H   0.9824000       4.400600      0.7160000    
 H  -0.5406000      -4.714700      0.9776000    
 H   -4.661300      0.5991000      -1.340600    
 H   -1.430500     -2.0400001E-02  -4.096400    
 H   -3.836900      0.3948000      -3.660500    
 H    3.228700       5.069500      0.2661000    
 H    4.478800       3.922300     -0.1705000    
 H    1.431200      -6.097200      0.5652000    
 H    2.958600      -5.393500      7.7699997E-02
 H   -3.077900       1.343800       3.421900    
 H   -4.739400       1.602700       2.777400    
 H   -3.615800       2.970400       2.947200    


%chk=000130597-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130597

0 1
I 5.107316 0.954167 -1.262023
O 2.493797 -0.617652 -0.492747
O -4.471164 1.039240 1.194597
O -2.674980 -0.064916 2.159643
N 4.062677 3.985558 -0.404881
N 1.804572 -5.318062 0.381821
C -0.164937 0.132603 0.575064
C 0.972200 1.130795 0.357930
C 0.366141 -1.301480 0.583688
C -1.249441 0.296701 -0.520118
C 2.218454 0.726032 -0.181589
C 1.624924 -1.618002 0.026796
C 0.807277 2.505563 0.644473
C -0.390293 -2.382158 1.099901
C -2.645129 0.470144 -0.252370
C -0.828342 0.295040 -1.875628
C 3.249470 1.658927 -0.443161
C 2.122085 -2.930274 -0.051920
C 1.817705 3.445815 0.398348
C 0.073460 -3.707893 1.041701
C 3.070191 3.043545 -0.161489
C 1.339554 -4.002772 0.451590
C -3.558037 0.650302 -1.333722
C -1.738250 0.450542 -2.937816
C -3.115477 0.635110 -2.666723
C -3.204359 0.437351 1.132041
C -5.123723 1.003652 2.523137
H -0.631540 0.329478 1.553586
H -0.148698 2.843519 1.061761
H -1.361431 -2.163150 1.556910
H 0.237990 0.175600 -2.095042
H 3.112677 -3.096069 -0.487828
H 1.658815 4.504747 0.631651
H -0.537620 -4.521332 1.450635
H -4.616518 0.794850 -1.103028
H -1.377150 0.433665 -3.972279
H -3.831221 0.763684 -3.485566
H 3.904704 4.963779 -0.183999
H 4.962305 3.704212 -0.789287
H 1.250612 -6.082874 0.754290
H 2.708000 -5.531720 -0.029093
H -4.510415 1.540746 3.266003
H -5.260321 -0.038648 2.857572
H -6.090981 1.503334 2.372371


