%chk=000004404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004404

0 1
 O   -5.059400     -0.9186000      0.7410000    
 O   -7.291500      8.9999996E-03  -1.915400    
 O   -6.949800      -2.909200       1.406900    
 O    5.184200      0.5825000     -0.5140000    
 O    3.160300       2.081100      0.1598000    
 N   -3.015200      7.4800000E-02  7.5900003E-02
 N   -1.120400     -0.9907000     -0.4361000    
 N   -2.113100       2.245900      0.6898000    
 N   0.3182000       2.290300      0.4840000    
 N    1.569200      0.3886000     -0.2368000    
 C   -4.441700      0.2985000      0.2781000    
 C   -6.568400      0.1754000     -0.7136000    
 C   -5.189200      0.7344000     -0.9731000    
 C   -6.239800      -1.151500     -4.6700001E-02
 C   -7.352200      -1.669900      0.8471000    
 C   -2.004000      0.9756000      0.2729000    
 C   -2.430300      -1.091500     -0.3495000    
 C  -0.8403000      0.2961000     -5.0000001E-02
 C   0.3531000       1.001500      6.7699999E-02
 C  -0.8949000       2.824600      0.7650000    
 C    2.855500      0.9408000     -0.1762000    
 C    3.922300     -4.7200002E-02 -0.5956000    
 C    6.267600     -0.2178000     -0.2400000    
 C    6.262400      -1.542100     -0.6560000    
 C    7.350700      0.3103000      0.4493000    
 C    7.361600      -2.354300     -0.3772000    
 C    8.449900     -0.5020000      0.7280000    
 C    8.455200      -1.834400      0.3147000    
 H   -4.551300       1.035900       1.081900    
 H   -7.123600      0.8429000     -4.3699998E-02
 H   -4.759800      0.2961000      -1.883200    
 H   -5.184800       1.820000      -1.112400    
 H   -5.984800      -1.917500     -0.7903000    
 H   -8.275800      -1.823600      0.2810000    
 H   -7.543900     -0.9785000       1.674200    
 H   -8.134700     -0.4211000      -1.693600    
 H   -3.004200      -1.977100     -0.5866000    
 H   -7.677400      -3.217100       1.973700    
 H  -0.8851000       3.857800       1.095200    
 H    1.500100     -0.5803000     -0.5409000    
 H    3.728300     -0.3587000      -1.627900    
 H    3.839000     -0.9043000      8.5299999E-02
 H    5.442300      -1.975800      -1.219800    
 H    7.349400       1.347100      0.7727000    
 H    7.369000      -3.390000     -0.7041000    
 H    9.301700     -9.7099997E-02   1.266500    
 H    9.311800      -2.466300      0.5305000    


%chk=000004404-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004404

0 1
O -4.637406 -1.370498 0.300549
O -5.849376 0.999700 -2.231672
O -5.106590 -3.381232 -1.916676
O 3.794471 -0.071547 0.333306
O 3.007553 3.240760 1.575645
N -2.736627 0.026609 0.724093
N -0.549166 -0.590117 0.383660
N -2.368873 2.347606 1.550964
N 0.026696 2.922630 1.624696
N 1.726329 1.334497 0.948421
C -4.219689 -0.080867 0.842598
C -5.834869 0.247970 -0.976869
C -4.961058 1.022805 0.037709
C -5.122960 -1.125887 -1.087695
C -5.999336 -2.294759 -1.501405
C -1.961784 1.133950 1.082301
C -1.839344 -0.977559 0.323652
C -0.612309 0.731423 0.860419
C 0.392507 1.695433 1.154424
C -1.309773 3.178246 1.795762
C 2.900587 2.063961 1.152423
C 4.170533 1.266998 0.794746
C 4.814389 -0.970252 -0.044579
C 6.193012 -0.654037 -0.009779
C 4.370661 -2.243796 -0.473658
C 7.130710 -1.634305 -0.411793
C 5.318919 -3.207398 -0.870354
C 6.703949 -2.909405 -0.841919
H -4.474876 -0.084453 1.915289
H -6.864310 0.103230 -0.584211
H -4.251504 1.653033 -0.522017
H -5.549058 1.679858 0.694626
H -4.265261 -1.035552 -1.785428
H -6.649275 -1.979031 -2.349875
H -6.641635 -2.586521 -0.644703
H -6.516405 0.609447 -2.851042
H -2.193544 -1.955344 0.008765
H -5.618068 -4.223547 -2.005625
H -1.554128 4.174107 2.176197
H 1.876234 0.377684 0.591888
H 4.808894 1.211521 1.698273
H 4.715104 1.821613 0.005477
H 6.544024 0.328312 0.320057
H 3.296779 -2.454826 -0.488490
H 8.199136 -1.392790 -0.386150
H 4.975999 -4.193426 -1.202508
H 7.436938 -3.661648 -1.150994


