%chk=000005022.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005022

0 1
 O    3.969600      -1.335600     -0.6301000    
 O    4.395300       2.181400     -2.1900000E-02
 O    6.176700      0.6340000      -1.369900    
 O    5.102800      -3.435100      0.8430000    
 N    2.090500     -1.1800000E-02 -4.0899999E-02
 N   0.3313000     -0.6596000       1.169000    
 N   -2.345400      0.7688000      0.9686000    
 N    1.100600       1.850200      -1.247200    
 N   -1.240300       2.163100     -0.6319000    
 C    4.435000      0.8014000      0.2786000    
 C    3.452600      7.7000000E-03 -0.5692000    
 C    5.751500      0.1497000     -9.5899999E-02
 C    5.360300      -1.318300     -0.2333000    
 C    5.497400      -2.093400       1.069700    
 C    1.068500      0.8332000     -0.3729000    
 C    1.596900     -0.8906000      0.8884000    
 C  -1.1600000E-02  0.4153000      0.3878000    
 C   -1.199700       1.122900      0.2352000    
 C   -3.593800       1.462100      0.8510000    
 C   -4.739600      0.5845000       1.376700    
 C  -0.1043000       2.457800      -1.309200    
 C   -3.502300       2.764700       1.639700    
 C   -5.188700     -0.4576000      0.3797000    
 C   -6.194700     -0.1460000     -0.5207000    
 C   -4.586000      -1.705200      0.3840000    
 C   -6.609400      -1.108000      -1.441500    
 C   -5.000800      -2.667200     -0.5369000    
 C   -6.012500      -2.368500      -1.449800    
 H    4.241400      0.6662000       1.349600    
 H    3.390200      0.3897000      -1.595700    
 H    6.553400      0.3456000      0.6216000    
 H    5.918700      -1.825300      -1.028400    
 H    4.857500      -1.687900       1.859600    
 H    6.533300      -2.093400       1.421000    
 H    3.501300       2.502200      0.1853000    
 H    6.995700      0.1627000      -1.600400    
 H    2.199600      -1.672400       1.330200    
 H   -3.797000       1.710400     -0.1993000    
 H    4.182600      -3.421000      0.5285000    
 H   -2.247100      2.0000000E-02   1.645500    
 H   -5.607200       1.212700       1.620800    
 H   -4.463200      9.7499996E-02   2.321900    
 H   -4.443000       3.322500       1.577300    
 H   -2.709600       3.418600       1.262400    
 H   -3.293900       2.573400       2.698600    
 H  -0.1729000       3.296300      -1.994000    
 H   -6.663800      0.8337000     -0.5242000    
 H   -3.798600      -1.948800       1.091200    
 H   -7.396500     -0.8754000      -2.152800    
 H   -4.536200      -3.648900     -0.5433000    
 H   -6.335200      -3.117500      -2.166900    


%chk=000005022-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005022

0 1
O 4.036583 -1.683187 0.036333
O 3.807308 1.714288 -1.353429
O 5.811341 0.089883 -2.015870
O 5.791130 -2.724844 1.970009
N 1.924953 -0.579640 -0.000281
N -0.022827 -1.254615 1.007871
N -2.438149 0.665979 1.125704
N 1.236267 1.722123 -0.683169
N -1.064993 2.234428 -0.014810
C 4.081685 0.680960 -0.386918
C 3.265338 -0.625303 -0.609579
C 5.526550 0.159508 -0.586293
C 5.498740 -1.267548 -0.004476
C 6.022417 -1.385484 1.431787
C 1.036242 0.493117 -0.103835
C 1.232544 -1.605628 0.667029
C -0.156705 0.059251 0.524169
C -1.244754 0.987369 0.556366
C -3.611555 1.568930 1.168100
C -4.899299 0.719858 1.358389
C 0.132457 2.526189 -0.591299
C -3.457641 2.630645 2.280395
C -5.152577 -0.280927 0.238862
C -5.527885 0.165677 -1.055271
C -5.005045 -1.674298 0.456088
C -5.744504 -0.754229 -2.103937
C -5.219033 -2.600022 -0.591404
C -5.588835 -2.142232 -1.875968
H 3.931696 1.021445 0.659677
H 3.170445 -0.823907 -1.696897
H 6.265045 0.806994 -0.072297
H 6.014907 -1.971596 -0.678654
H 5.549045 -0.610624 2.074083
H 7.116614 -1.244760 1.447576
H 2.802993 1.950788 -1.245175
H 5.334308 0.868882 -2.421178
H 1.701150 -2.563009 0.873770
H -3.651775 2.089399 0.192724
H 4.834057 -2.940978 1.820900
H -2.527549 -0.287792 1.486639
H -5.742554 1.432040 1.435425
H -4.839669 0.196617 2.334068
H -4.316016 3.327338 2.266740
H -2.536461 3.214616 2.119483
H -3.409862 2.156254 3.277743
H 0.223467 3.522148 -1.033929
H -5.655627 1.239806 -1.241398
H -4.731451 -2.041175 1.454242
H -6.036744 -0.392115 -3.096123
H -5.099246 -3.672958 -0.404170
H -5.757124 -2.856860 -2.689216


