%chk=000068358.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068358

0 1
 O    5.903700      -1.430600      0.4529000    
 O    4.681000      -2.831000      -1.080700    
 O   -4.739300      -1.354700       1.160700    
 O   -5.913800      0.1665000     -0.8535000    
 O   -2.101100      -2.166700       2.155000    
 N  -0.4319000      -1.211900      0.8010000    
 N    1.855500       4.178600      0.6675000    
 C    2.789400      0.5079000      0.3762000    
 C    2.174200       1.743400      0.9534000    
 C    2.091800     -0.3128000     -0.5139000    
 C  -0.4002000     -0.3946000     -0.3053000    
 C    2.439200       2.976700      8.1500001E-02
 C   -1.786300     -9.9500000E-02 -0.6502000    
 C   0.7124000      2.2100000E-02 -0.9130000    
 C    4.096000      0.1829000      0.7489000    
 C   -2.596400     -0.7633000      0.2791000    
 C    2.661100      -1.460400      -1.051100    
 C    4.650700     -0.9591000      0.2086000    
 C    3.952500      -1.758600     -0.6673000    
 C   -1.725200      -1.484900       1.220900    
 C   -3.976000     -0.7025000      0.2496000    
 C   -2.360800      0.6587000      -1.654600    
 C   -4.556700      6.2100001E-02 -0.7629000    
 C    5.915700      -2.617500     -0.3665000    
 C   -3.757500      0.7360000      -1.705500    
 C   0.4011000       4.048300      0.7671000    
 C    2.207100       5.359500     -0.1225000    
 C   -5.657700      -2.331700      0.6660000    
 C   -6.528700       1.237200     -0.1413000    
 H    1.109100       1.568600       1.125300    
 H    2.587900       1.915400       1.957400    
 H    2.060800       2.812200     -0.9365000    
 H    3.525800       3.109000     -8.5000005E-03
 H   0.6488000      0.6690000      -1.785200    
 H    4.663000      0.8021000       1.436000    
 H    2.126000      -2.102100      -1.743100    
 H   0.4014000      -1.570200       1.253700    
 H   -1.758800       1.183900      -2.388100    
 H    6.104100      -3.485400      0.2759000    
 H    6.731700      -2.533800      -1.093500    
 H   -4.227300       1.326800      -2.488600    
 H  -5.9400000E-02   3.751800     -0.1825000    
 H  -4.7300000E-02   5.002700       1.069700    
 H   0.1059000       3.339600       1.546400    
 H    3.295000       5.480000     -0.1728000    
 H    1.814500       6.268500      0.3468000    
 H    1.818100       5.303100      -1.145800    
 H   -5.311600      -2.784000     -0.2700000    
 H   -6.645300      -1.882400      0.5305000    
 H   -5.744000      -3.122200       1.417200    
 H   -6.329000       1.152400      0.9316000    
 H   -7.608800       1.179200     -0.3009000    
 H   -6.171000       2.201800     -0.5150000    


%chk=000068358-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068358

0 1
O 5.848883 -1.583839 0.335343
O 4.170922 -3.094864 -0.476789
O -5.332019 -1.777355 -0.017628
O -6.152068 0.855888 -0.543147
O -2.471131 -3.353704 0.822922
N -0.784956 -1.759966 0.392655
N 2.338654 4.580170 0.017135
C 2.917702 0.791785 0.560413
C 2.595686 2.235112 0.924543
C 1.900138 -0.115779 0.097418
C -0.648362 -0.394933 0.055457
C 2.626193 3.167897 -0.318935
C -2.027785 0.089903 -0.147994
C 0.511426 0.343270 -0.029105
C 4.269341 0.359799 0.675543
C -2.937901 -0.999233 0.045389
C 2.260076 -1.460486 -0.268701
C 4.578129 -0.957687 0.336730
C 3.588421 -1.846980 -0.131563
C -2.130388 -2.192114 0.450112
C -4.338368 -0.804230 -0.099675
C -2.488185 1.381680 -0.461718
C -4.801261 0.532790 -0.349593
C 5.572860 -3.010552 0.010062
C -3.879667 1.591275 -0.536975
C 0.927987 4.816396 0.382593
C 2.790850 5.508785 -1.040664
C -5.088700 -3.120739 -0.597500
C -7.124156 0.441537 0.493677
H 1.610720 2.295526 1.420531
H 3.336928 2.624026 1.645045
H 1.924400 2.775429 -1.102001
H 3.640338 3.120846 -0.758150
H 0.360906 1.413684 -0.202110
H 5.043246 1.045861 1.031411
H 1.533556 -2.138361 -0.723680
H -0.026109 -2.358679 0.716972
H -1.795479 2.213437 -0.624863
H 5.672935 -3.613524 0.932120
H 6.252217 -3.332045 -0.793807
H -4.296346 2.578133 -0.760484
H 0.214129 4.575612 -0.449588
H 0.789387 5.878648 0.650793
H 0.646787 4.213158 1.262513
H 3.869330 5.362857 -1.228246
H 2.640898 6.551381 -0.707334
H 2.248925 5.376903 -2.011823
H -4.348731 -3.672671 0.003651
H -4.739867 -3.017472 -1.642072
H -6.074094 -3.610091 -0.575940
H -7.145478 -0.654371 0.597907
H -8.093165 0.821762 0.136730
H -6.868354 0.912223 1.462523


