%chk=000114854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114854

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=000114854-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114854

0 1
O 4.036582 -1.683189 0.036331
O 3.807312 1.714288 -1.353428
O 5.811343 0.089881 -2.015868
O 5.791126 -2.724848 1.970009
N 1.924954 -0.579640 -0.000283
N -0.022827 -1.254615 1.007866
N -2.438148 0.665980 1.125700
N 1.236270 1.722124 -0.683168
N -1.064991 2.234430 -0.014810
C 4.081686 0.680959 -0.386917
C 3.265339 -0.625303 -0.609581
C 5.526551 0.159506 -0.586291
C 5.498740 -1.267550 -0.004475
C 6.022414 -1.385487 1.431788
C 1.036243 0.493118 -0.103836
C 1.232543 -1.605628 0.667025
C -0.156705 0.059251 0.524166
C -1.244753 0.987370 0.556364
C -3.611554 1.568931 1.168097
C -4.899298 0.719861 1.358389
C 0.132460 2.526190 -0.591298
C -3.457637 2.630648 2.280390
C -5.152579 -0.280925 0.238864
C -5.527887 0.165677 -1.055269
C -5.005047 -1.674296 0.456091
C -5.744509 -0.754231 -2.103934
C -5.219037 -2.600021 -0.591399
C -5.588841 -2.142233 -1.875962
H 3.931697 1.021443 0.659678
H 3.170447 -0.823907 -1.696899
H 6.265046 0.806991 -0.072294
H 6.014908 -1.971598 -0.678653
H 5.549042 -0.610628 2.074084
H 7.116612 -1.244764 1.447579
H 2.802997 1.950789 -1.245174
H 5.334313 0.868882 -2.421176
H 1.701148 -2.563011 0.873765
H -3.651776 2.089400 0.192721
H 4.834053 -2.940981 1.820899
H -2.527550 -0.287793 1.486632
H -5.742552 1.432043 1.435425
H -4.839667 0.196621 2.334069
H -4.316013 3.327342 2.266736
H -2.536457 3.214618 2.119476
H -3.409857 2.156259 3.277739
H 0.223471 3.522150 -1.033926
H -5.655629 1.239806 -1.241397
H -4.731452 -2.041172 1.454246
H -6.036750 -0.392117 -3.096120
H -5.099251 -3.672957 -0.404164
H -5.757131 -2.856862 -2.689210


