%chk=000083801.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083801

0 1
 O   -2.823200     -0.4978000      0.1529000    
 O    1.685800      -2.005700     -6.3699998E-02
 O    3.126300      0.8539000      0.7288000    
 N    2.557900      0.6504000     -0.3533000    
 C   -1.496700     -0.2199000      2.8400000E-02
 C  -0.5624000      -1.255600      4.4399999E-02
 C   0.7970000     -0.9707000     -8.3099999E-02
 C    1.222300      0.3500000     -0.2261000    
 C   -1.071400       1.100800     -0.1149000    
 C   0.2881000       1.385700     -0.2421000    
 C   -3.723500      0.6088000      0.1287000    
 H  -0.8952000      -2.284500      0.1562000    
 H   -1.742600       1.952600     -0.1354000    
 H   0.6014000       2.421700     -0.3532000    
 H   -4.735200      0.2049000      0.2397000    
 H   -3.692200       1.132100     -0.8330000    
 H   -3.554300       1.283900      0.9744000    
 H    2.595900      -1.681900     -0.1580000    


%chk=000083801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083801

0 1
O -2.846510 -0.497841 0.059750
O 1.645731 -2.119241 -0.027548
O 3.256377 1.493801 -0.122412
N 2.690430 0.330686 -0.093208
C -1.495751 -0.178023 0.019601
C -0.622650 -1.291308 0.017103
C 0.761292 -1.062124 -0.022180
C 1.276077 0.286010 -0.058201
C -1.000835 1.170099 -0.016826
C 0.378284 1.389010 -0.054702
C -3.835008 0.592090 0.072212
H -1.024756 -2.306017 0.044903
H -1.690383 2.018104 -0.014283
H 0.800612 2.399494 -0.083699
H -4.809291 0.085278 0.113142
H -3.767337 1.200537 -0.848534
H -3.708543 1.233586 0.963831
H 2.570263 -1.715442 -0.058248


