%chk=000059668.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059668

0 1
 O    4.013700      2.2600001E-02 -0.2861000    
 O   -1.990600       1.311000       1.249700    
 N   -5.867200     -0.4877000     -0.4185000    
 N   -2.264000     -0.8373000      0.4184000    
 C   -6.619700     -0.4080000      -1.670000    
 C   -6.370500      0.6164000      0.3982000    
 C   -8.036200     -0.1163000      -1.197400    
 C   -7.872300      0.5600000      0.1602000    
 C   -4.429100     -0.4126000     -0.6291000    
 C   -3.687700     -0.9124000      0.6021000    
 C  -6.3199997E-02  0.2158000      0.4857000    
 C    2.027700       1.321200     -8.1000002E-03
 C    1.953100      -1.084500      0.2010000    
 C   -1.521100      0.2859000      0.7627000    
 C    2.674800      8.6000003E-02 -3.3300001E-02
 C    2.783700       2.585200     -0.2543000    
 C    2.627900      -2.416400      0.1775000    
 C   0.6587000       1.386200      0.2513000    
 C   0.5840000      -1.019500      0.4605000    
 C    3.345900       3.185900       1.040900    
 C    3.158800      -2.821500       1.558900    
 C    4.142700       4.453900      0.7787000    
 C    3.814500      -4.193000       1.534500    
 C    4.408600     -0.1086000      -1.649300    
 C    5.899600     -0.1029000      -1.719700    
 C    6.628100      -1.109600      -2.214300    
 H   -6.570600      -1.339200      -2.243100    
 H   -6.263100      0.4135000      -2.304800    
 H   -5.981500       1.586100      6.1799999E-02
 H   -6.137800      0.4970000       1.460700    
 H   -8.572800      0.5221000      -1.906600    
 H   -8.607400      -1.045000      -1.082200    
 H   -8.367800     -3.7799999E-02  0.9342000    
 H   -8.318200       1.559800      0.1713000    
 H   -4.145800      -1.059600      -1.470600    
 H   -4.106500      0.6004000     -0.9034000    
 H   -3.932300      -1.961700      0.8017000    
 H   -3.951800     -0.3305000       1.491800    
 H   -1.824400      -1.624500     -4.6200000E-02
 H    3.595400       2.438400     -0.9723000    
 H    2.119900       3.317600     -0.7335000    
 H    3.443200      -2.447800     -0.5506000    
 H    1.915500      -3.175700     -0.1728000    
 H   0.1588000       2.352000      0.2678000    
 H   5.3300001E-02  -1.943400      0.6732000    
 H    3.993700       2.456600       1.542500    
 H    2.527700       3.412400       1.735400    
 H    2.339800      -2.830600       2.288600    
 H    3.888200      -2.082100       1.911500    
 H    4.993900       4.252500      0.1205000    
 H    4.528700       4.860700       1.718500    
 H    3.517300       5.219100      0.3082000    
 H    4.183300      -4.455100       2.531000    
 H    4.662900      -4.208900      0.8429000    
 H    3.101500      -4.962700       1.222300    
 H    3.995900      -1.026700      -2.081900    
 H    4.026100      0.7286000      -2.243400    
 H    6.413600      0.7799000      -1.348500    
 H    7.710300      -1.043400      -2.239900    
 H    6.163800      -2.011100      -2.598400    


%chk=000059668-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059668

0 1
O 4.080616 -0.068002 -0.297702
O -2.055416 1.544619 1.001692
N -6.068918 -0.468482 -0.443946
N -2.380866 -0.690136 0.448642
C -6.873132 -0.556242 -1.691634
C -6.638319 0.694681 0.290691
C -8.325326 -0.320150 -1.206649
C -8.170543 0.544001 0.092416
C -4.611904 -0.424441 -0.663619
C -3.834733 -0.641499 0.658012
C -0.096745 0.232770 0.397877
C 2.071325 1.323569 -0.052878
C 1.930938 -1.154689 0.147142
C -1.572408 0.422001 0.642712
C 2.672087 0.034518 -0.092746
C 2.904538 2.587788 -0.186106
C 2.622266 -2.505945 0.226355
C 0.682024 1.396265 0.191787
C 0.542208 -1.032955 0.387965
C 3.639661 2.944356 1.137604
C 3.326033 -2.728527 1.595340
C 4.486126 4.227660 1.009013
C 4.026078 -4.100843 1.676012
C 4.480039 -0.157524 -1.733513
C 5.974861 -0.001212 -1.800844
C 6.802225 -0.861899 -2.442435
H -6.730231 -1.538056 -2.178125
H -6.579710 0.237712 -2.426632
H -6.279535 1.661257 -0.147305
H -6.342571 0.678752 1.353726
H -8.932710 0.183307 -1.978844
H -8.810865 -1.282011 -0.969131
H -8.624303 0.025882 0.954252
H -8.657345 1.530557 0.000862
H -4.348209 -1.233660 -1.373239
H -4.277482 0.541766 -1.120125
H -4.179928 -1.581000 1.127440
H -4.027030 0.193000 1.352687
H -1.975835 -1.538392 0.052064
H 3.666095 2.480261 -0.982014
H 2.250353 3.432886 -0.474625
H 3.387638 -2.600796 -0.566951
H 1.882703 -3.314739 0.063907
H 0.175565 2.366633 0.241167
H -0.019631 -1.948970 0.613595
H 4.283626 2.091491 1.423102
H 2.889897 3.065690 1.943509
H 2.577483 -2.637227 2.406863
H 4.063407 -1.918053 1.744859
H 5.263492 4.116159 0.228942
H 4.995854 4.466746 1.960242
H 3.857815 5.096516 0.735362
H 4.517103 -4.241436 2.656231
H 4.802974 -4.195825 0.893822
H 3.305104 -4.929293 1.537749
H 4.154616 -1.129111 -2.156740
H 3.969053 0.654647 -2.293346
H 6.376761 0.888167 -1.296078
H 7.882413 -0.687667 -2.493370
H 6.423720 -1.764176 -2.939144


