%chk=000075413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075413

0 1
 O   -2.730700       1.709000      0.1695000    
 O  -0.5658000      -2.521300      0.9743000    
 O   -4.527900      0.7450000     -0.8923000    
 O   3.8000001E-03 -0.7249000      -2.747800    
 O   -1.276200     -0.7773000       2.307100    
 N  -0.9800000      6.9899999E-02 -0.8037000    
 N    5.202400       1.177300      0.3539000    
 C   -2.340000     -0.2450000      -1.160700    
 C   -2.714500      -1.671700     -0.7419000    
 C   -2.810700      -1.879900      0.7735000    
 C   -3.331000      0.7790000     -0.6250000    
 C   9.3900003E-02 -0.2009000      -1.640700    
 C   -1.485000      -1.634300       1.459400    
 C    1.435900      0.1602000      -1.115700    
 C    2.537300     -0.5373000      -1.566400    
 C    1.538100       1.182600     -0.1950000    
 C   -3.595000       2.709500      0.7181000    
 C    3.928000      0.8324000     -0.1426000    
 C    3.797500     -0.1975000      -1.074300    
 C    2.798400       1.522400      0.2969000    
 C   0.7492000      -2.411200       1.528400    
 C   -2.775700       3.656200       1.569100    
 C    1.641600      -3.455400      0.8918000    
 C    5.406500       1.713100       1.664000    
 H   -2.407600     -0.1762000      -2.254000    
 H   -1.997600      -2.382000      -1.172600    
 H   -3.692900      -1.920700      -1.172500    
 H   -3.558600      -1.213600       1.216600    
 H   -3.127700      -2.904200       1.000100    
 H  -0.8297000      0.4638000      0.1183000    
 H    2.451900      -1.345700      -2.286400    
 H   0.6907000       1.768800      0.1444000    
 H   -4.363600       2.229400       1.334000    
 H   -4.074400       3.264300     -9.6100003E-02
 H    4.669600     -0.7445000      -1.423500    
 H    2.869300       2.339500       1.009100    
 H   0.7008000      -2.582400       2.609700    
 H    1.149000      -1.410400       1.344700    
 H   -1.990200       4.129800      0.9710000    
 H   -2.274900       3.112100       2.376800    
 H   -3.406300       4.435600       2.005700    
 H    5.993500      0.7274000     -9.5399998E-02
 H    2.660100      -3.391200       1.284500    
 H    1.252300      -4.461100       1.081300    
 H    1.671600      -3.327200     -0.1949000    
 H    6.478000       1.744200       1.886400    
 H    4.927900       1.094100       2.430100    
 H    5.030800       2.738300       1.741800    


%chk=000075413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075413

0 1
O -2.854188 1.839895 -0.039007
O -0.643039 -2.814941 1.208244
O -4.609052 0.681810 -1.041564
O -0.018942 -1.208840 -2.316805
O -0.879247 -0.848798 2.446127
N -1.005487 0.094373 -0.670699
N 5.343076 1.320832 0.316629
C -2.355187 -0.305833 -1.074853
C -2.797935 -1.674059 -0.467663
C -2.762266 -1.717644 1.082281
C -3.396389 0.765298 -0.744387
C 0.109482 -0.402222 -1.333383
C -1.353084 -1.705914 1.659429
C 1.444391 0.063868 -0.845356
C 2.564623 -0.116418 -1.703350
C 1.662937 0.653230 0.428978
C -3.803743 2.932753 0.347115
C 4.064166 0.909379 -0.044885
C 3.845820 0.298107 -1.320799
C 2.946303 1.069665 0.829433
C 0.791150 -2.944479 1.617876
C -2.991837 3.971208 1.112933
C 1.482723 -3.782594 0.546425
C 5.665973 1.961499 1.589203
H -2.354659 -0.441786 -2.175385
H -2.131737 -2.452648 -0.875516
H -3.826677 -1.878791 -0.815320
H -3.318801 -0.874254 1.526288
H -3.251451 -2.654641 1.408050
H -0.923553 0.844960 0.016562
H 2.393318 -0.591899 -2.674944
H 0.841010 0.752285 1.149031
H -4.609846 2.485920 0.956135
H -4.251704 3.336021 -0.578539
H 4.694313 0.157371 -2.002760
H 3.082211 1.508202 1.822625
H 0.806220 -3.429734 2.611350
H 1.224262 -1.933933 1.709802
H -2.182851 4.381467 0.484797
H -2.543262 3.531152 2.019927
H -3.649407 4.804667 1.420331
H 6.094255 1.172612 -0.354734
H 2.545883 -3.925953 0.814290
H 1.010438 -4.775714 0.452392
H 1.433900 -3.276031 -0.432396
H 6.743224 2.193696 1.616159
H 5.437799 1.304407 2.452756
H 5.108972 2.910452 1.726177


