%chk=000127852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127852

0 1
 O  -0.1817000      0.6823000       1.839000    
 O    3.201500      -1.542500      -1.401800    
 O    1.454300       2.287800      -1.431500    
 O   -2.954400      0.5602000       1.441300    
 N    2.083300      0.8308000      0.2724000    
 N   -1.295200     -0.2168000     -1.8000000E-03
 N   -4.957000     -0.1891000     -0.2270000    
 N    3.810800      -2.672900      0.5090000    
 C    1.126200     -0.2130000      5.7999999E-03
 C    1.654400      -1.579000      0.4419000    
 C  -0.1640000      0.1274000      0.7426000    
 C    2.952200      -1.920300     -0.2598000    
 C    2.165100       1.997000     -0.4730000    
 C   -2.615000      1.9900000E-02  0.3919000    
 C   -3.594100     -0.4642000     -0.6588000    
 C    3.233900       2.927700      3.4200002E-02
 C   -5.920500     -0.6353000      -1.224400    
 H   0.9349000     -0.2157000      -1.074700    
 H    1.806800      -1.593800       1.528500    
 H   0.9272000      -2.365200      0.2075000    
 H    2.674300      0.7356000       1.093700    
 H   -1.151000     -0.6768000     -0.8974000    
 H   -3.373700      5.9900001E-02  -1.596100    
 H   -3.439700      -1.539600     -0.8060000    
 H    3.446500       3.689600     -0.7209000    
 H    2.887300       3.413400      0.9503000    
 H    4.155000       2.375000      0.2407000    
 H   -5.139900     -0.6744000      0.6512000    
 H    3.578500      -2.975500       1.449500    
 H    4.715100      -2.960500      0.1497000    
 H   -5.775700     -0.1137000      -2.176100    
 H   -6.934000     -0.4116000     -0.8775000    
 H   -5.852900      -1.715000      -1.393300    


%chk=000127852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127852

0 1
O -0.312221 -1.910437 1.893802
O 3.693973 -1.650776 -1.081662
O 0.277336 1.025918 -1.570965
O -3.092932 -1.067970 1.423451
N 1.621130 0.472514 0.231900
N -1.177776 -0.613327 0.107571
N -4.698564 0.458927 -0.215066
N 4.742476 -2.205660 0.912196
C 1.251649 -0.963680 0.225791
C 2.314268 -1.792515 0.957979
C -0.157160 -1.218605 0.857028
C 3.627950 -1.863902 0.164291
C 1.184616 1.357326 -0.729858
C -2.562139 -0.585411 0.392958
C -3.384755 0.082308 -0.720818
C 1.829471 2.731298 -0.746437
C -5.740829 0.663497 -1.224785
H 1.222799 -1.273094 -0.838297
H 2.476030 -1.407661 1.983167
H 1.917915 -2.816166 1.090752
H 2.314415 0.781840 0.915789
H -0.841471 -0.077581 -0.727231
H -2.834531 0.960545 -1.119689
H -3.431351 -0.659843 -1.564079
H 2.431891 2.829484 -1.666782
H 1.044154 3.504044 -0.782856
H 2.483360 2.918086 0.122229
H -4.969777 -0.114763 0.592875
H 4.686577 -2.409189 1.909016
H 5.632404 -2.331157 0.429309
H -5.483898 1.522471 -1.874215
H -6.695711 0.903532 -0.725509
H -5.910798 -0.218352 -1.892755


