%chk=000127044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127044

0 1
 I   -6.114400      -1.232900      -1.627400    
 O   0.8229000     -0.8301000     -9.6600004E-02
 O   -1.965800     -0.9902000       2.141500    
 O   0.6038000      -1.479200       2.100600    
 N    4.017800      0.5701000      0.5231000    
 C    2.897000     -0.7907000      -1.386100    
 C    2.222300      -1.076800     -3.2299999E-02
 C    2.821700      0.7208000      -1.664800    
 C    4.380400      -1.160700      -1.246300    
 C    2.882200     -0.2155000       1.059500    
 C    3.506900       1.485000     -0.5207000    
 C    4.996700     -0.3548000     -9.0400003E-02
 C   0.1165000      -1.073500       1.051900    
 C   -1.371200     -0.7654000      0.8541000    
 C   -1.990200      -1.802900     -0.1189000    
 C   -1.549200      0.7026000      0.4701000    
 C   -1.531900       1.043600     -0.8641000    
 C   -1.721000       1.632000       1.471600    
 C   -3.484700      -1.671000     -0.2704000    
 C   -1.694700       2.383800      -1.214900    
 C   -1.883900       2.972200       1.120600    
 C   -1.870700       3.348000     -0.2226000    
 C   -4.090400      -1.414000      -1.437400    
 H    2.414900      -1.347900      -2.196000    
 H    2.365000      -2.141400      0.2001000    
 H    1.777200       1.040300      -1.756800    
 H    3.315500      0.9521000      -2.616200    
 H    4.912500     -0.9432000      -2.180100    
 H    4.487400      -2.234600      -1.053200    
 H    2.177600      0.4817000       1.529000    
 H    3.251500     -0.8599000       1.867500    
 H    4.330800       2.091800     -0.9164000    
 H    2.803700       2.200200     -7.5700000E-02
 H    5.389400      -1.037200      0.6739000    
 H    5.864400      0.2113000     -0.4515000    
 H   -1.803900      -2.813100      0.2726000    
 H   -1.494800      -1.780400      -1.097100    
 H   -1.877800      -1.934200       2.358700    
 H   -1.374200      0.3230000      -1.658100    
 H   -1.720200       1.370300       2.524600    
 H   -4.077100      -1.806600      0.6314000    
 H   -1.678700       2.677500      -2.260400    
 H   -2.017000       3.723900       1.893100    
 H   -1.995300       4.391800     -0.4957000    
 H   -3.509000      -1.284800      -2.344000    


%chk=000127044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127044

0 1
I -6.098384 -1.010348 -2.007327
O 0.895573 -0.950401 -0.004832
O -2.121693 -1.344076 2.004172
O 0.544524 -1.355069 2.261703
N 4.004662 0.813280 -0.012533
C 3.015014 -1.284334 -1.194380
C 2.385486 -1.107744 0.199770
C 2.771987 -0.019479 -2.063310
C 4.545754 -1.466604 -0.977118
C 3.001737 0.165779 0.875861
C 3.345004 1.225679 -1.291189
C 5.105542 -0.154072 -0.309004
C 0.109385 -1.068548 1.115903
C -1.396710 -0.810747 0.851215
C -1.891179 -1.604898 -0.397461
C -1.628668 0.712911 0.704964
C -1.014501 1.451899 -0.338707
C -2.492209 1.377284 1.607061
C -3.394155 -1.497418 -0.562283
C -1.260407 2.835769 -0.472617
C -2.735543 2.762965 1.472638
C -2.120737 3.497787 0.434125
C -3.974593 -1.136192 -1.727223
H 2.587259 -2.176314 -1.684596
H 2.522847 -2.007764 0.826099
H 1.693195 0.096965 -2.267972
H 3.278851 -0.152210 -3.037318
H 5.027606 -1.656173 -1.953942
H 4.740420 -2.351311 -0.340841
H 2.203565 0.897171 1.097569
H 3.485674 -0.101049 1.830780
H 4.091737 1.766404 -1.899445
H 2.541883 1.940555 -1.036180
H 5.626261 -0.380669 0.638732
H 5.829015 0.352466 -0.972034
H -1.619586 -2.667448 -0.238578
H -1.360893 -1.250173 -1.296992
H -1.464774 -1.431026 2.751077
H -0.340677 0.950314 -1.041939
H -2.975798 0.793910 2.395568
H -3.989573 -1.743997 0.324923
H -0.782774 3.397181 -1.283779
H -3.410014 3.265324 2.175132
H -2.311276 4.571725 0.329408
H -3.426835 -0.866302 -2.635299


