%chk=000156840.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156840

0 1
 O    3.841500      0.6531000     -0.4189000    
 O   -1.273800      -3.439200      0.1024000    
 O   0.9751000      -2.380500     -0.5610000    
 O    2.553800     -0.5970000       1.017700    
 N   0.2661000     -0.1176000     -0.4130000    
 C    1.486500      0.5177000     -0.8399000    
 C  -0.8746000      0.7297000     -6.8599999E-02
 C  -0.9912000       1.140900       1.227200    
 C   -1.748300       1.053200      -1.065400    
 C    1.313400       2.028600     -0.8456000    
 C   0.1154000      -1.530900     -0.3095000    
 C    2.669600      0.1237000      3.1500001E-02
 C   -2.079800       1.948800       1.555900    
 C   -2.836900       1.861200     -0.7368000    
 C  -1.9600000E-02  0.7723000       2.301300    
 C   -1.597900      0.5898000      -2.478300    
 C   -3.002600       2.308900      0.5739000    
 C   -1.258800      -2.027500      0.1019000    
 C    5.007700      0.3215000      0.3422000    
 C   -2.545500      -3.956600      0.4829000    
 H    1.699700      0.1469000      -1.850000    
 H    1.168400       2.458000      0.1504000    
 H    2.233200       2.496200      -1.220900    
 H   0.5286000       2.385900      -1.516700    
 H   -2.223300       2.307900       2.571600    
 H   -3.564900       2.152500      -1.489200    
 H   0.9216000       1.314600       2.178800    
 H  -0.4107000       1.026000       3.293400    
 H   0.1732000     -0.3040000       2.317600    
 H   -1.514700     -0.4991000      -2.537600    
 H   -2.464900      0.8704000      -3.087000    
 H  -0.7174000       1.039900      -2.946100    
 H   -3.849800       2.938500      0.8296000    
 H   -1.486400      -1.673100       1.111700    
 H   -2.014500      -1.674100     -0.6035000    
 H    5.868200      0.8075000     -0.1253000    
 H    5.168900     -0.7607000      0.3357000    
 H    4.908600      0.6922000       1.366900    
 H   -2.801600      -3.634400       1.496800    
 H   -2.490700      -5.048300      0.4657000    
 H   -3.316600      -3.633200     -0.2228000    


%chk=000156840-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156840

0 1
O 3.870494 0.069614 -0.624059
O -1.652667 -2.470651 -0.435408
O 1.544944 -2.022160 0.006940
O 2.794724 0.456000 1.405539
N 0.315298 -0.063850 -0.134397
C 1.528159 0.566826 -0.742100
C -0.925654 0.680166 0.017933
C -1.236560 1.279485 1.272920
C -1.792413 0.802755 -1.107954
C 1.371692 2.085213 -0.966481
C 0.439728 -1.414371 0.172930
C 2.753681 0.325350 0.160834
C -2.442115 2.020798 1.377513
C -2.984604 1.551853 -0.959158
C -0.336521 1.117972 2.484462
C -1.465792 0.126032 -2.425023
C -3.308916 2.159486 0.273880
C -0.790368 -2.146058 0.710065
C 5.128027 -0.183017 0.118588
C -2.827123 -3.241072 -0.022565
H 1.747437 0.059187 -1.699782
H 1.197166 2.614492 -0.014679
H 2.299651 2.473303 -1.420776
H 0.533879 2.307767 -1.647192
H -2.692325 2.492918 2.334998
H -3.660085 1.654611 -1.816362
H -0.477750 1.955135 3.189995
H -0.579902 0.186901 3.036072
H 0.731392 1.049445 2.215693
H -1.425415 -0.969617 -2.284208
H -2.231186 0.356272 -3.185598
H -0.485509 0.442563 -2.827494
H -4.232860 2.740666 0.372125
H -0.429674 -3.072637 1.199087
H -1.350244 -1.528673 1.443515
H 5.892171 -0.316955 -0.659626
H 5.017453 -1.094887 0.728420
H 5.367747 0.670555 0.775115
H -2.533225 -4.207528 0.438276
H -3.405340 -3.433142 -0.939757
H -3.452392 -2.671049 0.696719


