%chk=000157583.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157583

0 1
 O   -3.159500      -1.061600      0.2250000    
 O   -1.021000       2.977800     -0.2430000    
 O    4.079500     -0.8081000      0.1327000    
 N  -0.7751000      -1.119100      0.2113000    
 C   0.4254000     -0.3697000      0.1165000    
 C   -1.950400     -0.4480000      0.1460000    
 C   0.3760000       1.049000     -4.1800000E-02
 C   -2.102500      0.9110000     -4.4000000E-03
 C  -0.7349000      -2.565300      0.3723000    
 C  -0.9437000       1.764700     -0.1089000    
 C    1.697000     -0.9658000      0.1716000    
 C    1.547100       1.810800     -0.1380000    
 C   -3.492000       1.158300     -2.0000000E-02
 C    2.862600     -0.1988000      7.5099997E-02
 C  -0.7327000      -3.272800     -0.9671000    
 C    2.787800       1.182500     -7.9099998E-02
 C   -4.093000     -7.4199997E-02  0.1229000    
 C    5.229400      2.9300001E-02  2.8800000E-02
 H   0.1004000      -2.900300      0.9963000    
 H   -1.620300      -2.901500      0.9291000    
 H    1.822400      -2.039400      0.2751000    
 H    1.510300       2.890100     -0.2584000    
 H   -3.998700       2.107300     -0.1214000    
 H   -1.618300      -3.011200      -1.556000    
 H   0.1497000      -3.008300      -1.558400    
 H  -0.7310000      -4.357900     -0.8239000    
 H    3.653900       1.830500     -0.1595000    
 H   -5.121400     -0.4014000      0.1685000    
 H    5.291500      0.7343000      0.8647000    
 H    5.275800      0.5316000     -0.9435000    
 H    6.108600     -0.6202000      9.3999997E-02


%chk=000157583-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157583

0 1
O -3.180937 -1.095494 0.250312
O -1.082662 3.113086 -0.238874
O 4.049350 -0.864993 0.112166
N -0.770280 -1.101871 0.237282
C 0.407168 -0.315468 0.118306
C -1.963841 -0.423872 0.163526
C 0.303257 1.114837 -0.038797
C -2.149626 0.953748 0.011121
C -0.751724 -2.581111 0.373635
C -1.002403 1.844615 -0.100533
C 1.684043 -0.928051 0.159031
C 1.500594 1.865446 -0.140290
C -3.585710 1.164993 0.004849
C 2.850176 -0.142792 0.056238
C -0.574606 -3.305326 -0.977314
C 2.768825 1.269931 -0.095129
C -4.183936 -0.066008 0.148090
C 5.304824 -0.113442 0.007998
H 0.050996 -2.852330 1.081112
H -1.707884 -2.876602 0.835815
H 1.811887 -2.007414 0.263096
H 1.386501 2.948852 -0.256567
H -4.084041 2.126497 -0.095273
H -1.412154 -3.071175 -1.656576
H 0.366478 -3.013908 -1.474342
H -0.557132 -4.398493 -0.816984
H 3.667689 1.886510 -0.177603
H -5.204917 -0.430185 0.199210
H 5.408931 0.610959 0.838190
H 5.376683 0.415521 -0.961449
H 6.097354 -0.872860 0.076254


