%chk=000059330.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059330

0 1
 O   -3.118200      -1.893200      0.9937000    
 O  -0.2592000      0.1347000      0.4638000    
 O  -0.5602000      -1.907400       1.501300    
 N   -4.545800      0.9650000     -0.6630000    
 C   -2.433700     -0.7281000      0.5494000    
 C   -2.600100     -0.6074000     -0.9667000    
 C   -2.980000      0.5130000       1.258800    
 C   -4.037600     -0.2305000      -1.347400    
 C   -4.402600      0.8469000      0.7936000    
 C  -0.9894000     -0.9289000      0.9051000    
 C   -3.949900       2.194600      -1.180100    
 C    1.144000      7.3600002E-02  0.7385000    
 C    1.749700      -1.150600      8.3999999E-02
 C    1.849400       1.359200      0.3524000    
 C    2.846600      -1.755900      0.6710000    
 C    2.973900       1.747200       1.057200    
 C    1.192000      -1.635700      -1.085500    
 C    1.351100       2.111400     -0.6952000    
 C    3.404500      -2.883500      6.8400003E-02
 C    3.622900       2.929500      0.7019000    
 C    1.749900      -2.763300      -1.687900    
 C    2.000300       3.293800      -1.050500    
 C    2.856100      -3.387200      -1.111000    
 C    3.136300       3.702700     -0.3518000    
 H   -2.355700      -1.563600      -1.447400    
 H   -1.913600      0.1371000      -1.387100    
 H   -2.334200       1.383500       1.091500    
 H   -3.001600      0.3486000       2.343800    
 H   -4.109300     -0.1037000      -2.434800    
 H   -4.702500      -1.071300      -1.110600    
 H   -5.086300      6.2600002E-02   1.144000    
 H   -4.743900       1.767300       1.283500    
 H   -2.867800       2.251200      -1.024600    
 H   -4.407300       3.069400     -0.7048000    
 H   -4.143700       2.289800      -2.254400    
 H   -3.092300      -1.909500       1.965800    
 H    1.228300     -2.5400000E-02   1.831300    
 H    3.278900      -1.377200       1.592200    
 H    3.359800       1.156800       1.882700    
 H   0.3519000      -1.154000      -1.575000    
 H   0.4737000       1.806500      -1.257700    
 H    4.265000      -3.369900      0.5182000    
 H    4.506800       3.248600       1.246600    
 H    1.327400      -3.151600      -2.610100    
 H    1.622700       3.895000      -1.872400    
 H    3.291200      -4.264300      -1.580900    
 H    3.641900       4.623300     -0.6287000    


%chk=000059330-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059330

0 1
O -3.286691 -1.453968 1.687356
O -0.175857 -0.026648 0.367268
O -0.632565 -1.436332 2.172041
N -4.691097 0.847206 -0.633128
C -2.500649 -0.539149 0.845745
C -2.814044 -0.871957 -0.637257
C -2.904030 0.933157 1.171368
C -4.306360 -0.554041 -0.941567
C -4.392410 1.163857 0.785541
C -1.016442 -0.738302 1.195959
C -4.193639 1.843888 -1.600978
C 1.311518 -0.061610 0.686145
C 1.953472 -1.214409 -0.081118
C 1.861313 1.319769 0.363949
C 2.056747 -2.484979 0.541367
C 3.071956 1.724702 0.980366
C 2.438542 -1.047691 -1.402336
C 1.223396 2.195906 -0.547569
C 2.633187 -3.573547 -0.148641
C 3.639046 2.984188 0.688597
C 3.010880 -2.137722 -2.093370
C 1.789467 3.458898 -0.836469
C 3.110829 -3.403125 -1.468827
C 2.998678 3.856916 -0.222413
H -2.611648 -1.944191 -0.814009
H -2.145014 -0.284640 -1.292021
H -2.244238 1.624556 0.614634
H -2.759335 1.119344 2.252517
H -4.524787 -0.758346 -2.006112
H -4.937897 -1.223481 -0.328976
H -5.022103 0.512893 1.419876
H -4.674888 2.214242 0.985174
H -3.080628 1.948432 -1.655864
H -4.608745 2.835910 -1.345500
H -4.552355 1.577165 -2.611875
H -2.674557 -1.809158 2.389904
H 1.385528 -0.267480 1.770598
H 1.670049 -2.617274 1.558402
H 3.573495 1.052538 1.687511
H 2.380603 -0.064576 -1.882132
H 0.281516 1.891890 -1.013791
H 2.709720 -4.550538 0.341170
H 4.573525 3.286339 1.174195
H 3.384937 -2.000437 -3.114071
H 1.285048 4.131258 -1.539574
H 3.560614 -4.246802 -2.004297
H 3.435313 4.836452 -0.446689


