%chk=000049261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049261

0 1
 O  -0.1668000       2.343800     -0.1657000    
 O   0.2218000      -2.417000     -0.4836000    
 O    3.827200      0.2149000      0.5517000    
 N    1.820600       1.256300      0.1506000    
 N    2.010900      -1.074300     -5.9000002E-03
 C  -0.1284000     -2.8500000E-02 -0.6349000    
 C   -1.517700     -0.1832000     -2.4000001E-03
 C  -0.2679000      5.5799998E-02  -2.131700    
 C   0.4783000       1.293700     -0.1864000    
 C   0.6884000      -1.283100     -0.3588000    
 C   -1.544200     -0.8973000       1.328700    
 C   -2.610200      0.2786000     -0.6407000    
 C   -1.420700      6.5099999E-02   2.500900    
 C    2.636100      0.1382000      0.2450000    
 C   -4.027300      0.2371000     -0.1669000    
 H  -0.6469000       1.020200      -2.492200    
 H   0.7139000     -5.3100001E-02  -2.614600    
 H  -0.8896000     -0.7455000      -2.552100    
 H  -0.7899000      -1.674000       1.454200    
 H   -2.490700      -1.442500       1.430200    
 H   -2.528600      0.7914000      -1.593400    
 H    2.250000       2.146500      0.3873000    
 H    2.580900      -1.906900      0.1153000    
 H   -1.528100     -0.4772000       3.446000    
 H   -2.194700      0.8391000       2.469300    
 H  -0.4433000      0.5581000       2.509200    
 H   -4.622200     -0.3968000     -0.8316000    
 H   -4.450800       1.246500     -0.1904000    
 H   -4.136800     -0.1381000      0.8529000    


%chk=000049261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049261

0 1
O 0.330688 2.407348 -0.230407
O 0.241258 -2.269227 -1.581163
O 3.473401 -0.634394 1.323523
N 1.825131 0.842603 0.570608
N 1.788650 -1.424950 -0.091624
C -0.109462 0.063334 -0.857818
C -1.423376 -0.164376 -0.043422
C -0.342229 0.496296 -2.331579
C 0.678884 1.202002 -0.167649
C 0.634449 -1.296225 -0.892079
C -1.259565 -0.490047 1.443115
C -2.638337 -0.077248 -0.650850
C -1.514357 0.725544 2.377067
C 2.432278 -0.422523 0.654134
C -3.985289 -0.295638 -0.000135
H -0.905855 1.441806 -2.358498
H 0.624472 0.657503 -2.840833
H -0.883990 -0.293841 -2.874233
H -0.248222 -0.890575 1.646601
H -1.957911 -1.301764 1.720589
H -2.683794 0.175453 -1.716799
H 2.312009 1.599120 1.063337
H 2.244945 -2.343596 -0.084486
H -1.377123 0.436873 3.435320
H -2.544223 1.104087 2.253893
H -0.829325 1.562034 2.155482
H -4.566997 -1.050551 -0.563408
H -4.580141 0.638906 -0.016060
H -3.912668 -0.630155 1.047374


