%chk=000053204.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053204

0 1
 O   -1.664400     -0.9521000       1.329100    
 O  -0.8995000      -2.899300      0.3687000    
 O    1.912400       2.286800       1.228500    
 O    3.853700      -1.579100     -0.8258000    
 O    4.077700       1.045600      2.9400000E-02
 N   -3.120400      0.3431000     -0.9017000    
 N   -2.800800       1.811700      -2.618400    
 N   -1.153000      0.2005000      -2.147500    
 C   -3.025200      -1.219400      0.9938000    
 C   -3.926800     -0.2728000       1.787300    
 C   -3.794500       1.169600       1.296400    
 C   -3.222300      -1.065800     -0.5161000    
 C   -4.022700       1.260100     -0.2095000    
 C   -2.304300      0.7568000      -1.898500    
 C  -0.7382000      -1.742000      0.7235000    
 C   0.5371000      -1.004200      0.5403000    
 C    1.600000      -1.647900     -6.0100000E-02
 C   0.6202000      0.3025000      0.9755000    
 C    1.818100      0.9959000      0.8029000    
 C    2.798100     -0.9546000     -0.2327000    
 C    2.907200      0.3674000      0.1989000    
 C    1.559600       3.304500      0.2938000    
 C    3.956400      -1.472000      -2.244200    
 C    5.031400      0.9645000       1.086200    
 H   -3.256600      -2.248300       1.297300    
 H   -4.970900     -0.5930000       1.687000    
 H   -3.668400     -0.3094000       2.851900    
 H   -4.516100       1.805800       1.821100    
 H   -2.794400       1.548800       1.540800    
 H   -2.529800      -1.683400      -1.095500    
 H   -4.227700      -1.417400     -0.7815000    
 H   -3.867800       2.308000     -0.4892000    
 H   -5.060900       1.007300     -0.4558000    
 H   -3.767300       2.109600      -2.550400    
 H   -2.262400       2.215900      -3.377600    
 H  -0.7201000      0.6835000      -2.942300    
 H    1.525000      -2.677100     -0.3996000    
 H  -0.2055000      0.8242000       1.449600    
 H    2.211500       3.263900     -0.5845000    
 H    1.687600       4.275600      0.7799000    
 H   0.5130000       3.200000     -9.8999999E-03
 H    4.055600     -0.4245000      -2.545600    
 H    3.082400      -1.920900      -2.726700    
 H    4.850100      -2.014200      -2.564900    
 H    5.907100       1.554700      0.8031000    
 H    4.616900       1.376300       2.011900    
 H    5.344800     -7.2300002E-02   1.243800    


%chk=000053204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053204

0 1
O -1.767759 -0.638854 0.875604
O -0.952160 -2.660154 0.045664
O 2.040910 2.566219 0.995825
O 4.075769 -1.702001 -0.484152
O 4.385649 1.075225 0.231313
N -4.000549 0.190643 -1.023545
N -3.656099 1.931210 -2.586206
N -2.052450 0.115457 -2.357731
C -3.145946 -1.219149 0.875365
C -3.960342 -0.366907 1.861372
C -4.193087 1.060170 1.314671
C -3.738304 -1.179326 -0.551003
C -4.816858 1.013104 -0.104488
C -3.171525 0.731714 -2.019815
C -0.757102 -1.461973 0.371415
C 0.560605 -0.768030 0.318697
C 1.691524 -1.523984 -0.075632
C 0.696255 0.605481 0.628546
C 1.963825 1.222587 0.583164
C 2.954477 -0.911367 -0.133721
C 3.114118 0.458390 0.230213
C 2.690393 3.513954 0.064427
C 4.740238 -1.302293 -1.746117
C 5.316324 0.541082 1.258746
H -3.071357 -2.273455 1.202453
H -4.935355 -0.872036 2.019898
H -3.444498 -0.335610 2.837822
H -4.861957 1.625421 1.991818
H -3.228542 1.597706 1.266540
H -3.051214 -1.663789 -1.260699
H -4.695587 -1.743577 -0.526841
H -4.905734 2.036378 -0.502506
H -5.837107 0.576622 -0.042126
H -4.655817 2.115442 -2.646193
H -3.040750 2.457736 -3.200075
H -1.627596 0.491728 -3.224498
H 1.581109 -2.578978 -0.341186
H -0.174856 1.199584 0.911427
H 3.730254 3.212111 -0.143339
H 2.663259 4.485550 0.581134
H 2.113853 3.575080 -0.879246
H 5.093446 -0.256427 -1.692735
H 4.043051 -1.423229 -2.596773
H 5.591277 -1.991118 -1.859203
H 6.259572 1.088958 1.111685
H 4.914047 0.740563 2.268735
H 5.468497 -0.542959 1.113997


