%chk=000050943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050943

0 1
 O    2.705600       2.233600      0.1159000    
 O    2.006900      -2.419900     -0.7768000    
 O    3.655500     -0.1947000     -0.8191000    
 O   -1.845200       1.089000       1.969600    
 N   -2.498200     -0.6948000      0.6379000    
 C   -4.739200      0.1902000      0.1308000    
 C   -3.881900     -0.7002000       1.024400    
 C   -4.724300     -0.2571000      -1.332700    
 C  -0.1915000      0.1049000      0.6297000    
 C   -1.578700      0.2137000       1.150300    
 C   -5.633800      0.6114000      -2.187800    
 C   0.2538000      -1.116900      0.1699000    
 C   0.6064000       1.230200      0.6212000    
 C    1.908200       1.129100      0.1306000    
 C    1.555800      -1.218000     -0.3205000    
 C    2.383000     -9.5100001E-02 -0.3401000    
 C    2.667100       3.045100      -1.056300    
 C    2.637800      -3.277800      0.1717000    
 C    4.712900      0.1272000      8.1400000E-02
 H   -5.769400      0.1763000      0.5063000    
 H   -4.387400       1.227200      0.1965000    
 H   -4.230100      -1.737500      0.9768000    
 H   -3.966300     -0.3663000       2.064400    
 H   -5.051400      -1.300700      -1.405900    
 H   -3.707100     -0.2056000      -1.737200    
 H   -2.230200      -1.347800     -9.0000004E-02
 H   -6.669800      0.5578000      -1.838400    
 H   -5.609000      0.2756000      -3.229200    
 H   -5.315200       1.658300      -2.160600    
 H  -0.3517000      -2.017100      0.2018000    
 H   0.2437000       2.188900      0.9813000    
 H    3.365600       3.875300     -0.9211000    
 H    2.974200       2.469100      -1.934900    
 H    1.662600       3.453200      -1.206700    
 H    2.948000      -4.190200     -0.3451000    
 H    3.524900      -2.798300      0.5972000    
 H    1.938100      -3.547900      0.9690000    
 H    5.033800       1.161300     -7.1199998E-02
 H    4.430400     -3.4299999E-02   1.127600    
 H    5.559800     -0.5266000     -0.1470000    


%chk=000050943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050943

0 1
O 2.733357 2.259229 0.315151
O 1.827987 -2.573953 -0.482951
O 3.725155 -0.278158 -0.545118
O -2.083398 1.421365 1.825258
N -2.686044 -0.543135 0.737289
C -4.963365 0.324106 0.061220
C -4.107959 -0.430046 1.108092
C -5.040226 -0.379096 -1.312632
C -0.329033 0.171506 0.695711
C -1.754386 0.404013 1.134230
C -5.931695 0.380783 -2.318804
C 0.160510 -1.090666 0.292176
C 0.545718 1.284948 0.710467
C 1.879034 1.128000 0.303657
C 1.512557 -1.266316 -0.095589
C 2.393143 -0.144431 -0.091915
C 3.086809 2.761529 -1.033141
C 3.217346 -3.064680 -0.463071
C 4.769644 0.016026 0.468152
H -5.987459 0.436109 0.473016
H -4.555058 1.346008 -0.058612
H -4.509596 -1.450423 1.263524
H -4.143943 0.110394 2.069728
H -5.430285 -1.409651 -1.176990
H -4.019375 -0.478273 -1.734368
H -2.406311 -1.277846 0.087463
H -6.965750 0.477248 -1.937360
H -5.977188 -0.138615 -3.293623
H -5.543967 1.401428 -2.496105
H -0.456268 -1.995152 0.316069
H 0.177484 2.262086 1.034225
H 3.753526 3.620362 -0.861676
H 3.604519 1.981240 -1.620700
H 2.175436 3.093568 -1.565471
H 3.124771 -4.145828 -0.650563
H 3.824516 -2.580640 -1.243220
H 3.682933 -2.897659 0.527150
H 4.626069 1.025450 0.889374
H 4.737750 -0.741352 1.275318
H 5.726743 -0.048876 -0.071661


