%chk=000043766.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043766

0 1
 O    5.399000       1.850700      2.7000001E-03
 O   9.9600002E-02  -3.128700      0.7455000    
 N   8.5000005E-03  -1.191000     -9.3500003E-02
 N  -0.3326000      -2.460700     -0.2016000    
 C   -2.144400     -7.1199998E-02  0.2508000    
 C  -0.9727000     -0.3005000     -0.7024000    
 C    1.348700     -0.8909000     -0.6239000    
 C   -3.197400      0.8444000     -0.3773000    
 C    2.027000      0.1832000      0.2246000    
 C    3.417300      0.5164000     -0.3144000    
 C   -4.354500       1.104900      0.5868000    
 C    4.120100       1.556200      0.5486000    
 C   -5.418700       1.987300     -4.5899998E-02
 H   -2.618500      -1.024900      0.5149000    
 H   -1.779800      0.3768000       1.184100    
 H  -0.5356000      0.6863000     -0.9064000    
 H   -1.324200     -0.6790000      -1.673100    
 H    1.312800     -0.6009000      -1.683200    
 H    1.991600      -1.782900     -0.5823000    
 H   -3.580200      0.3851000      -1.296800    
 H   -2.736000       1.798400     -0.6604000    
 H    2.111800     -0.1661000       1.261600    
 H    1.423100       1.098300      0.2439000    
 H    3.346700      0.8864000      -1.344800    
 H    4.033100     -0.3904000     -0.3625000    
 H   -4.810000      0.1544000      0.8878000    
 H   -3.979600       1.587800       1.496700    
 H    4.254700       1.198400       1.574400    
 H    3.545800       2.487200      0.5823000    
 H   -6.235900       2.161600      0.6610000    
 H   -5.003500       2.959100     -0.3314000    
 H   -5.838100       1.516200     -0.9406000    
 H    5.909900       1.023400     -9.3000000E-03


%chk=000043766-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043766

0 1
O 4.941423 2.166695 0.867424
O 1.323087 -3.203097 -0.123907
N 0.010787 -1.497739 -0.774054
N 0.110952 -2.802046 -0.321712
C -1.800635 0.142830 -0.108362
C -1.360368 -1.018564 -1.028106
C 1.212039 -0.674147 -1.035471
C -3.257864 0.572665 -0.392225
C 1.831551 -0.057649 0.243039
C 3.116978 0.735600 -0.083147
C -3.725183 1.743997 0.501971
C 3.748115 1.361781 1.174465
C -5.184174 2.164433 0.222946
H -1.700712 -0.173222 0.948507
H -1.130370 1.014414 -0.251423
H -1.443875 -0.703376 -2.088299
H -2.018364 -1.893617 -0.880602
H 0.927105 0.116901 -1.752775
H 1.962515 -1.335570 -1.510637
H -3.934281 -0.294082 -0.241218
H -3.359495 0.866191 -1.458280
H 2.061064 -0.874981 0.951796
H 1.094036 0.607571 0.732537
H 2.899866 1.545637 -0.807377
H 3.853189 0.058520 -0.565750
H -3.619137 1.454030 1.566929
H -3.052892 2.612490 0.347258
H 3.983290 0.570593 1.919385
H 3.051994 2.079294 1.641682
H -5.494015 3.002781 0.873117
H -5.310867 2.487407 -0.827666
H -5.880475 1.323580 0.401514
H 5.632718 1.575980 0.474341


