%chk=000003434.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003434

0 1
 O    2.377100      -2.673100      0.7673000    
 O    5.290300       2.981100     -0.1154000    
 O   0.7681000      -4.058500     -9.2399999E-02
 O   -3.435400      0.6421000      0.3586000    
 O   -6.695100       1.815700     -9.8499998E-02
 O   -5.051000       2.521000       1.181000    
 N    3.699200      0.6278000     -0.2943000    
 N   0.4625000      -1.753200      0.1032000    
 N  -0.7902000      -1.660600     -0.3619000    
 N   -5.507600       1.707000      0.3259000    
 C    3.523900     -0.8229000     -0.2685000    
 C    2.562700      -1.241200      0.8351000    
 C    4.209200       1.114700      0.9950000    
 C    4.609500       1.024100      -1.377800    
 C    1.171800     -0.6561000      0.6644000    
 C    4.394900       2.628300      0.9397000    
 C    4.787000       2.539800      -1.376900    
 C    1.146300      -2.937300      0.2158000    
 C   -1.460100     -0.6760000      0.1445000    
 C   -2.838100     -0.4082000     -0.2324000    
 C   -3.653900      -1.051400      -1.102900    
 C   -4.877700     -0.3419000      -1.056500    
 C   -4.693600      0.6788000     -0.1530000    
 H    2.962300      -1.037900       1.832600    
 H    3.136500      -1.169200      -1.236100    
 H    4.481600      -1.343100     -0.1300000    
 H    5.166700      0.6350000       1.235900    
 H    3.510800      0.9280000       1.815200    
 H    4.204200      0.7143000      -2.347700    
 H    5.587800      0.5430000      -1.248200    
 H   0.7725000     -0.4360000       1.661100    
 H    1.121900      0.2354000      3.2900002E-02
 H    3.439800       3.149100      0.7987000    
 H    4.831200       2.985500       1.878200    
 H    5.511500       2.830600      -2.144300    
 H    3.845400       3.057500      -1.596800    
 H   -1.079700      2.6400000E-02  0.9050000    
 H   -3.423100      -1.919100      -1.704200    
 H   -5.778400     -0.5538000      -1.615400    


%chk=000003434-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003434

0 1
O 2.391007 -2.773996 0.678513
O 5.435034 3.067427 -0.160604
O 0.601141 -4.052595 -0.131926
O -3.547586 0.857921 -0.071562
O -6.963434 1.626897 -0.840877
O -5.280207 2.947727 0.013003
N 3.852533 0.630471 -0.088125
N 0.403306 -1.708269 0.336036
N -0.910267 -1.625945 -0.016893
N -5.743892 1.825333 -0.433891
C 3.550400 -0.808156 -0.250568
C 2.652387 -1.313350 0.897293
C 4.919967 0.893637 0.918559
C 4.188788 1.300255 -1.377298
C 1.254265 -0.644544 0.917538
C 5.098806 2.408999 1.110398
C 4.374656 2.808812 -1.148028
C 1.062267 -2.971105 0.240030
C -1.543416 -0.472479 0.136217
C -2.932261 -0.401341 -0.246349
C -3.863079 -1.313584 -0.769626
C -5.098215 -0.613357 -0.929315
C -4.870090 0.693222 -0.498421
H 3.158292 -1.241458 1.872234
H 3.005086 -0.951194 -1.203212
H 4.462358 -1.447866 -0.296214
H 5.892006 0.446057 0.596006
H 4.642310 0.437973 1.887204
H 3.363560 1.134910 -2.095255
H 5.124483 0.881469 -1.821410
H 0.911447 -0.388637 1.938116
H 1.265476 0.273381 0.302469
H 4.164740 2.845923 1.525552
H 5.941324 2.624943 1.787372
H 4.701635 3.312226 -2.072281
H 3.418477 3.254957 -0.798615
H -1.097731 0.451800 0.536867
H -3.652091 -2.355257 -0.998598
H -6.042686 -0.995507 -1.307440


