%chk=000065851.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065851

0 1
 O    5.269500       1.725500     -8.3700001E-02
 O    5.569700     -0.4677000     -0.5569000    
 N   -3.799000     -0.1557000      6.8599999E-02
 N   -4.771000       1.827900      0.1097000    
 C   -1.542000      -1.161300      4.6999999E-03
 C  -0.7209000      -2.389300      0.4084000    
 C  -0.8846000      0.1093000      0.5639000    
 C   0.6822000      -2.317200     -0.1929000    
 C   -2.983400      -1.282200      0.4949000    
 C   0.6030000      0.1727000      0.3182000    
 C    1.346700     -0.9782000      7.9999998E-04
 C    1.265200       1.401000      0.4673000    
 C    2.731700     -0.8703000     -0.1972000    
 C    3.376300      0.3581000     -5.6200001E-02
 C    2.643700       1.493000      0.2782000    
 C   -4.513500     -8.0799997E-02  -1.085200    
 C   -3.977600       1.003500      0.7570000    
 C   -5.109000       1.157800      -1.039400    
 C    4.813000      0.4538000     -0.2603000    
 H   -1.546500      -1.096300      -1.093100    
 H   -1.210500      -3.310300      7.0699997E-02
 H  -0.6519000      -2.446900       1.502800    
 H   -1.046300      0.1762000       1.647400    
 H   -1.335000      0.9922000      9.6000001E-02
 H   0.6242000      -2.515200      -1.270600    
 H    1.296600      -3.106900      0.2559000    
 H   -3.036600      -1.331300       1.589300    
 H   -3.456000      -2.190200      0.1020000    
 H   0.7060000       2.295100      0.7327000    
 H    3.299400      -1.759800     -0.4630000    
 H    3.102500       2.469700      0.4027000    
 H   -4.540200     -0.8771000      -1.815900    
 H   -3.519100       1.197800       1.717100    
 H   -5.763100       1.601300      -1.775800    
 H    6.238800       1.787400     -0.2220000    


%chk=000065851-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065851

0 1
O 5.402017 1.739058 -0.196362
O 5.618183 -0.541771 -0.570301
N -3.878743 -0.194753 0.113228
N -5.078088 1.731926 0.241281
C -1.552915 -1.180448 0.035753
C -0.713617 -2.401109 0.481603
C -0.899170 0.118522 0.558577
C 0.696413 -2.344965 -0.144982
C -3.017046 -1.319931 0.517571
C 0.602198 0.188282 0.301206
C 1.362691 -0.979529 0.001512
C 1.263211 1.441603 0.389320
C 2.756943 -0.859836 -0.191202
C 3.409011 0.393234 -0.097355
C 2.650719 1.556766 0.194391
C -4.302544 0.102890 -1.189709
C -4.369275 0.819174 0.936447
C -5.040670 1.286118 -1.090412
C 4.877554 0.439262 -0.311337
H -1.554792 -1.152522 -1.074465
H -1.212311 -3.345478 0.187812
H -0.634723 -2.404216 1.588194
H -1.073102 0.186355 1.655023
H -1.394909 1.003614 0.117954
H 0.619615 -2.590287 -1.224728
H 1.344081 -3.124062 0.299486
H -3.040990 -1.376385 1.622646
H -3.448251 -2.262016 0.128613
H 0.672507 2.338285 0.613027
H 3.363721 -1.744456 -0.418856
H 3.153633 2.524894 0.263060
H -4.065110 -0.535092 -2.037380
H -4.193786 0.838609 2.010031
H -5.543719 1.836239 -1.882275
H 6.383563 1.697623 -0.351273


