%chk=000126982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126982

0 1
 O   0.4269000      -2.125900      0.1645000    
 O   0.3437000       3.388700      8.0899999E-02
 O    3.832800     -4.4199999E-02 -0.6047000    
 O    2.816400      -1.978100     -0.3501000    
 N   -4.371300      -1.283500      4.0399998E-02
 N    2.807000     -0.7252000     -0.3720000    
 C   -2.043100     -0.8242000      0.6699000    
 C   -3.166700     -0.5418000     -0.3440000    
 C  -0.7662000     -7.1199998E-02  0.3829000    
 C   0.4121000     -0.7612000      0.1427000    
 C  -0.8032000       1.315100      0.3651000    
 C   -2.786100     -0.9473000      -1.768000    
 C    1.581600     -4.8300002E-02 -0.1214000    
 C   0.3663000       2.027900      0.1011000    
 C    1.558700       1.346300     -0.1422000    
 C   0.7003000      -2.748500       1.416800    
 C  -0.9090000       4.021300      0.3381000    
 H   -1.876900      -1.906200      0.7075000    
 H   -2.373200     -0.5437000       1.679900    
 H   -3.425300      0.5227000     -0.3461000    
 H   -1.750700       1.797000      0.5769000    
 H   -3.626500     -0.7957000      -2.455300    
 H   -2.494200      -2.002300      -1.821500    
 H   -1.951800     -0.3463000      -2.143900    
 H    2.451900       1.932700     -0.3446000    
 H   -4.630400      -1.042300      0.9963000    
 H   -4.174400      -2.283800      4.6000000E-02
 H  -0.2004000      -2.762400       2.037500    
 H    1.504300      -2.242000       1.961400    
 H    1.003100      -3.782100       1.227000    
 H   -1.652100       3.769700     -0.4262000    
 H  -0.7432000       5.101900      0.2780000    
 H   -1.266300       3.809500       1.351600    


%chk=000126982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126982

0 1
O 0.331919 -2.127772 0.101498
O 0.411082 3.522254 0.161708
O 3.557792 0.010588 -1.355040
O 3.114426 -1.732458 0.040402
N -4.463822 -1.265772 -0.111065
N 2.802622 -0.606818 -0.507616
C -2.132788 -0.771624 0.772161
C -3.149911 -0.679091 -0.431976
C -0.835019 -0.026859 0.519154
C 0.366148 -0.726720 0.211394
C -0.837755 1.391469 0.522730
C -2.593136 -1.353606 -1.699700
C 1.522004 0.037977 -0.134800
C 0.323939 2.125858 0.185196
C 1.507604 1.444090 -0.166927
C 0.672220 -2.889615 1.328098
C -0.795678 4.285920 0.492307
H -1.938439 -1.841568 0.961558
H -2.635350 -0.350691 1.666085
H -3.310592 0.397437 -0.647572
H -1.766090 1.907770 0.788573
H -3.317066 -1.253620 -2.526092
H -2.407381 -2.429784 -1.519498
H -1.634761 -0.902097 -2.006173
H 2.400993 1.999714 -0.460585
H -4.927040 -0.869124 0.713055
H -4.470833 -2.291159 -0.103436
H -0.004114 -2.610466 2.159560
H 1.724174 -2.709863 1.602251
H 0.525456 -3.945973 1.057362
H -1.616418 4.067972 -0.218267
H -0.498722 5.340610 0.402950
H -1.131363 4.079620 1.527207


