%chk=000031013.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031013

0 1
 O   0.8674000      -2.048600     -0.1632000    
 O   -1.698800       1.981800     -0.5010000    
 O    3.112700     -0.5471000      0.4275000    
 N   -3.294100      -2.434000      0.2641000    
 C   -1.654600     -0.8560000     -0.6575000    
 C   -2.464100      -1.269300      0.5852000    
 C  -0.4243000     -4.2399999E-02 -0.3347000    
 C   0.7814000     -0.6888000     -0.1028000    
 C  -0.5182000       1.340700     -0.2741000    
 C   -3.377700     -0.1512000       1.087600    
 C    1.917100      6.3699998E-02  0.1962000    
 C   0.6175000       2.093200      2.4800001E-02
 C    1.835200       1.454700      0.2601000    
 C    1.766600      -2.597600      -1.123400    
 C   -1.689900       3.405300     -0.4150000    
 C    4.223800      0.2956000      0.7264000    
 H   -2.292100     -0.3169000      -1.371500    
 H   -1.337600      -1.748500      -1.215100    
 H   -1.789600      -1.562500       1.398400    
 H   -4.022800     -0.5100000       1.898300    
 H   -4.024300      0.2348000      0.2918000    
 H   -2.795500      0.6801000       1.495500    
 H   0.6295000       3.175700      9.1399997E-02
 H   -2.703300      -3.195800     -6.7000002E-02
 H   -3.921200      -2.207600     -0.5073000    
 H    2.675500       2.101900      0.4865000    
 H    2.724800      -2.829500     -0.6501000    
 H    1.915300      -1.931500      -1.980600    
 H    1.335900      -3.533800      -1.490700    
 H   -2.709500       3.746100     -0.6232000    
 H   -1.044300       3.852600      -1.178500    
 H   -1.442000       3.747400      0.5956000    
 H    4.071600      0.8488000       1.659400    
 H    4.468800      0.9538000     -0.1142000    
 H    5.089700     -0.3565000      0.8815000    


%chk=000031013-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031013

0 1
O 0.744803 -1.985263 -0.211030
O -1.780386 2.070776 -0.682065
O 3.073215 -0.566610 0.494021
N -3.461739 -2.372819 0.055490
C -1.703916 -0.752787 -0.806271
C -2.378027 -1.438850 0.440525
C -0.476426 0.069037 -0.465614
C 0.754754 -0.574909 -0.184713
C -0.525813 1.493262 -0.386130
C -2.940863 -0.404598 1.433543
C 1.914308 0.177293 0.183949
C 0.618391 2.244493 -0.045818
C 1.835282 1.582654 0.240358
C 1.759694 -2.659094 -1.048319
C -1.868359 3.529288 -0.659230
C 4.243026 0.182959 0.951487
H -2.454859 -0.113438 -1.304427
H -1.413309 -1.564341 -1.500244
H -1.596035 -2.036814 0.944485
H -3.376301 -0.920618 2.306581
H -3.730397 0.206784 0.954292
H -2.150148 0.283790 1.777954
H 0.584557 3.335926 0.008558
H -3.144533 -3.137149 -0.552808
H -4.277811 -1.893760 -0.345928
H 2.708503 2.178969 0.519745
H 2.773712 -2.479125 -0.656674
H 1.691175 -2.308830 -2.096822
H 1.505290 -3.729014 -0.993899
H -2.909867 3.760023 -0.928929
H -1.181750 3.988530 -1.398073
H -1.647686 3.933497 0.348550
H 4.018871 0.752523 1.874584
H 4.613424 0.875605 0.169897
H 5.008122 -0.578791 1.163373


