%chk=000137304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137304

0 1
 I    3.721400      -4.048200     -0.5009000    
 O   -1.711700     -0.3068000       1.055100    
 O   -1.292700     -0.1159000      -1.909500    
 O   -4.305600      0.9067000     -0.2150000    
 O   -2.176500      -3.045600       1.264600    
 O  -9.3800001E-02   3.378400      0.2664000    
 O    4.070700       1.448600      7.0699997E-02
 N   2.2800000E-02   1.046700      0.2470000    
 N    1.976200       2.396900      0.1694000    
 C   -2.065700      0.7129000      -1.049200    
 C   -3.333300     -2.7700000E-02 -0.6783000    
 C   -1.398000      0.8755000      0.3075000    
 C   -2.903900     -0.9013000      0.5019000    
 C   -2.569800      -2.332300      0.1049000    
 C   0.8587000     -6.6799998E-02  0.2043000    
 C   0.5797000       2.346600      0.2305000    
 C    2.196400     -1.8700000E-02  0.1462000    
 C    2.850100       1.320600      0.1251000    
 C    2.999400      -1.213700      0.1043000    
 C    2.575600      -2.355800     -0.4449000    
 H   -2.228100       1.677600      -1.539800    
 H   -3.778000     -0.6022000      -1.496100    
 H   -1.842500       1.719900      0.8483000    
 H   -3.653100     -0.9089000       1.302400    
 H   -1.736900      -2.371100     -0.6032000    
 H   -3.440300      -2.828900     -0.3347000    
 H   -1.793900     -0.2263000      -2.735500    
 H   -3.972200       1.341100      0.5875000    
 H   0.3445000      -1.021000      0.2262000    
 H    2.394800       3.322900      0.1561000    
 H   -1.971400      -3.954500      0.9865000    
 H    3.989400      -1.149500      0.5486000    
 H    1.604500      -2.451800     -0.9173000    


%chk=000137304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137304

0 1
I 3.738642 -4.321012 1.427115
O -1.887809 -0.267299 1.237406
O -1.969195 1.030519 -1.934900
O -4.677985 0.478230 0.471456
O -1.102462 -2.832971 0.113263
O -0.228999 2.984368 -0.884114
O 3.944907 0.879289 -0.804203
N -0.062458 0.873882 0.134654
N 1.846156 1.893974 -0.787912
C -2.536582 1.186691 -0.605765
C -3.572587 0.044524 -0.384704
C -1.505650 0.969676 0.574198
C -2.747140 -1.066991 0.291302
C -1.942571 -1.925435 -0.688185
C 0.708655 -0.231746 0.472124
C 0.479112 1.985285 -0.535553
C 2.056906 -0.331671 0.173053
C 2.723667 0.803748 -0.491820
C 2.891650 -1.503754 0.478600
C 2.446447 -2.673649 1.009187
H -3.028132 2.168377 -0.489734
H -4.034657 -0.242824 -1.339737
H -1.564185 1.782106 1.318416
H -3.355195 -1.709822 0.947559
H -1.333992 -1.294686 -1.364694
H -2.669881 -2.499196 -1.300119
H -1.472613 1.868139 -2.140719
H -4.346458 0.573354 1.402659
H 0.155144 -1.025417 0.978770
H 2.268084 2.698127 -1.264398
H -0.662718 -3.485675 -0.487371
H 3.951116 -1.371415 0.226251
H 1.407581 -2.889325 1.277018


