%chk=000053413.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053413

0 1
 O   4.9500000E-02   1.798000      4.0300000E-02
 O    4.833200       1.189300     -0.1928000    
 O    2.547100       2.990200     -0.1598000    
 O    2.068300      -2.558600      0.1492000    
 O   -1.952500      -2.371800      4.7400001E-02
 O   4.1299999E-02  -3.039600     -0.8520000    
 N   -2.757200       2.229200     -0.1548000    
 N  -0.2108000     -0.9577000      0.1954000    
 C   -3.677400       3.170400      0.4989000    
 C   -3.489600       1.249700     -0.9697000    
 C   -4.671300       2.434900       1.398900    
 C   -4.477500      0.4513000     -0.1175000    
 C   -5.440700       1.371800      0.6231000    
 C   -1.784100       2.951000     -0.9743000    
 C  -0.5475000       2.099600      -1.214000    
 C    1.174400       1.015500      1.6899999E-02
 C    1.058100     -0.3748000      9.4200000E-02
 C    2.424000       1.634100     -8.3200000E-02
 C    3.533300      0.7906000     -0.1012000    
 C    3.459800     -0.5965000     -2.6400000E-02
 C    2.192800      -1.197400      7.3700003E-02
 C    4.801800      -1.057400     -7.6700002E-02
 C    5.593100      6.3400000E-02 -0.1773000    
 C  -0.6294000      -2.201300     -0.2624000    
 C    2.675400       3.698300       1.070800    
 C   -2.538900      -3.613200     -0.3609000    
 C    2.079800      -3.132600       1.451500    
 C   -4.010200      -3.392000     -0.6773000    
 C   -2.344900      -4.644600      0.7402000    
 H   -3.112700       3.871700       1.125400    
 H   -4.222700       3.763900     -0.2468000    
 H   -4.031700       1.746700      -1.785300    
 H   -2.804600      0.5293000      -1.428600    
 H   -4.133600       1.962300       2.230800    
 H   -5.373600       3.152000       1.838800    
 H   -5.043300     -0.2377000     -0.7544000    
 H   -3.926500     -0.1609000      0.6076000    
 H   -6.068900      0.7887000       1.305200    
 H   -6.110300       1.857200     -9.7400002E-02
 H   -1.451500       3.849400     -0.4374000    
 H   -2.216500       3.287000      -1.924700    
 H   0.1630000       2.675800      -1.819600    
 H  -0.7769000       1.180800      -1.764200    
 H  -0.9594000     -0.3309000      0.4822000    
 H    5.149500      -2.080200     -4.3499999E-02
 H    6.659800      0.2199000     -0.2438000    
 H   -2.067300      -3.976900      -1.282500    
 H    1.790400       3.545600       1.696600    
 H    3.574500       3.377200       1.606200    
 H    2.764300       4.764500      0.8453000    
 H    3.061500      -2.999800       1.916900    
 H    1.305000      -2.690700       2.086100    
 H    1.882300      -4.203900       1.356400    
 H   -4.542900      -2.998600      0.1954000    
 H   -4.494800      -4.319800     -0.9961000    
 H   -4.119800      -2.648600      -1.474200    
 H   -1.280500      -4.806400      0.9404000    
 H   -2.795000      -5.604600      0.4693000    
 H   -2.792000      -4.300800       1.679400    


%chk=000053413-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053413

0 1
O 0.107408 1.589738 0.161597
O 4.987914 1.173679 -0.580355
O 2.539797 2.917897 -0.596569
O 2.627073 -2.614385 0.816955
O -1.901321 -2.327213 0.109494
O 0.136605 -2.941212 -0.914376
N -2.807506 2.190133 -0.124664
N -0.047312 -1.073907 0.525833
C -3.619098 3.075307 0.749546
C -3.659542 1.433743 -1.076497
C -4.646928 2.260136 1.558891
C -4.692696 0.569585 -0.325274
C -5.555597 1.439320 0.615611
C -1.697886 2.909239 -0.789630
C -0.502191 2.019890 -1.130409
C 1.318155 0.870763 0.043491
C 1.263813 -0.535964 0.334380
C 2.519304 1.547376 -0.269477
C 3.676895 0.746173 -0.299666
C 3.674409 -0.633330 0.034443
C 2.468821 -1.288698 0.411083
C 5.055465 -1.075671 -0.041028
C 5.803066 0.020197 -0.414373
C -0.525802 -2.178186 -0.167390
C 2.420228 3.812626 0.579618
C -2.542578 -3.554314 -0.482958
C 1.755158 -3.153705 1.874387
C -4.034846 -3.232307 -0.582513
C -2.227823 -4.765125 0.408184
H -2.933151 3.606912 1.434991
H -4.164541 3.853088 0.149393
H -4.197628 2.134017 -1.772209
H -3.013788 0.787069 -1.699023
H -4.100901 1.575387 2.236138
H -5.249348 2.945917 2.185471
H -5.330496 0.039218 -1.059343
H -4.149040 -0.193319 0.263360
H -6.250587 0.806424 1.199458
H -6.178767 2.132095 0.012174
H -1.338096 3.702039 -0.107696
H -2.029142 3.416378 -1.733104
H 0.253068 2.588377 -1.705686
H -0.795247 1.116597 -1.700612
H -0.749717 -0.418871 0.889994
H 5.419552 -2.081886 0.148947
H 6.859642 0.179098 -0.610905
H -2.095713 -3.700615 -1.483998
H 1.480074 3.609873 1.124847
H 3.288572 3.678966 1.251863
H 2.416767 4.835086 0.171905
H 1.500642 -2.376258 2.617213
H 0.836940 -3.583465 1.442701
H 2.348919 -3.951406 2.348014
H -4.460486 -3.031372 0.416748
H -4.572453 -4.090712 -1.024418
H -4.204507 -2.347618 -1.218603
H -1.141730 -4.957189 0.433405
H -2.723714 -5.668233 0.007287
H -2.592409 -4.595381 1.437053


