%chk=000041245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041245

0 1
 O  -0.5214000      -3.491000     -0.8352000    
 O    4.154500       2.506800      0.5218000    
 N   -3.243000      0.1130000     -0.1938000    
 N   0.1847000      -1.271800     -0.7114000    
 C   -1.934900     -0.4182000      0.1738000    
 C   -3.098000       1.328800     -0.9957000    
 C   -4.042500      0.3849000       1.001700    
 C   -1.133300     -0.7561000      -1.079600    
 C    1.203300     -0.3147000     -0.3727000    
 C    2.127400      -1.846700       1.442000    
 C    2.468800      -3.094500      0.6418000    
 C    2.178700     -0.5888000      0.6128000    
 C    1.827100      -3.136700     -0.7342000    
 C   0.3862000      -2.660800     -0.7369000    
 C   -2.346600       2.396900     -0.2061000    
 C   -4.477100       1.827000      -1.416400    
 C   -3.337000       1.406900       1.888700    
 C   -4.288100     -0.9182000       1.755600    
 C    1.220200      0.9436000      -1.001300    
 C    3.170600      0.3658000      0.8956000    
 C    3.189300       1.591700      0.2351000    
 C    2.209200       1.883700     -0.7055000    
 C    4.102100       3.748100     -0.1801000    
 H   -2.053800      -1.372700      0.7006000    
 H   -1.315100      0.1874000      0.8346000    
 H   -2.587900       1.126800      -1.940400    
 H   -5.044400      0.7456000      0.7481000    
 H   -1.011200      4.5000002E-02  -1.801300    
 H   -1.671600      -1.537600      -1.633200    
 H    2.808600      -1.776600       2.299400    
 H    1.124500      -1.936100       1.880400    
 H    3.556500      -3.170000      0.5185000    
 H    2.162000      -3.974000       1.221000    
 H    1.855000      -4.163400      -1.118600    
 H    2.401100      -2.537600      -1.451900    
 H   -1.847700       2.997100     -0.9877000    
 H   -2.964800       3.175000      0.2463000    
 H   -1.479000       2.116600      0.3898000    
 H   -5.090400       1.018100      -1.829700    
 H   -4.366600       2.577100      -2.209400    
 H   -5.035700       2.319400     -0.6140000    
 H   -3.701400       2.426600       1.756500    
 H   -2.264100       1.338400       2.059400    
 H   -3.708300       1.219100       2.911100    
 H   -3.412000      -1.270600       2.310100    
 H   -5.082700     -0.7727000       2.497700    
 H   -4.625400      -1.715700       1.083800    
 H   0.5150000       1.225200      -1.775300    
 H    3.925000      0.1595000       1.651800    
 H    2.158500       2.818200      -1.254200    
 H    4.942300       4.355000      0.1732000    
 H    3.186800       4.303200      5.1800001E-02
 H    4.240200       3.607000      -1.257500    


%chk=000041245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041245

0 1
O -0.721267 -2.993955 0.113162
O 4.953880 2.283647 -0.629637
N -3.132010 0.555104 0.161102
N 0.309039 -0.979809 -0.449168
C -1.807895 0.017695 0.496138
C -3.217148 2.023918 -0.034115
C -4.324271 -0.199530 0.626703
C -1.027851 -0.411751 -0.779783
C 1.488404 -0.149397 -0.514844
C 2.079544 -0.855240 1.864503
C 2.281302 -2.386993 1.673347
C 2.377837 -0.064087 0.603195
C 1.726420 -2.885200 0.307625
C 0.346247 -2.310715 -0.007097
C -3.526628 2.833790 1.260585
C -4.204481 2.406038 -1.163924
C -4.399175 -0.416175 2.168554
C -4.430661 -1.559604 -0.109217
C 1.761157 0.601775 -1.680577
C 3.519774 0.754002 0.503632
C 3.786464 1.503966 -0.668461
C 2.897986 1.434326 -1.768831
C 5.275933 3.074752 -1.819065
H -1.906571 -0.877211 1.134924
H -1.193925 0.755188 1.061022
H -2.206263 2.329847 -0.375353
H -5.203667 0.408062 0.336358
H -0.893248 0.456658 -1.445842
H -1.619475 -1.179729 -1.304542
H 2.709511 -0.498935 2.698874
H 1.024032 -0.678152 2.152793
H 3.357817 -2.638442 1.725463
H 1.778091 -2.921957 2.500381
H 1.626121 -3.982935 0.318709
H 2.435619 -2.608714 -0.494619
H -3.439495 3.920692 1.071640
H -4.555413 2.635319 1.614000
H -2.823788 2.568575 2.071853
H -3.963253 1.850005 -2.086669
H -4.150248 3.490560 -1.374735
H -5.250406 2.176343 -0.887494
H -4.317457 0.539029 2.715193
H -3.592008 -1.086152 2.518908
H -5.360753 -0.890676 2.441266
H -3.544933 -2.191007 0.092443
H -5.327061 -2.116943 0.222621
H -4.496252 -1.400711 -1.200165
H 1.088271 0.522265 -2.541370
H 4.218392 0.836084 1.342824
H 3.080791 1.999485 -2.687149
H 6.212867 3.595576 -1.573176
H 4.483054 3.816974 -2.036743
H 5.430651 2.427346 -2.704339


