%chk=000040928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040928

0 1
 O   0.2693000       3.998900       1.885700    
 O    1.636900       2.217500       2.169500    
 N   -1.441300       2.613300      0.2897000    
 C   0.7199000     -0.3062000      0.7009000    
 C  -0.3072000      0.7074000      0.3773000    
 C   -1.452900      0.5059000     -0.4421000    
 C  -0.3277000       2.012400      0.8124000    
 C    1.889200     -0.1648000     -0.2822000    
 C   8.8600002E-02  -1.694400      0.8675000    
 C   -2.147300       1.716900     -0.4806000    
 C   -1.967500     -0.5939000      -1.157100    
 C   -3.335300       1.883800      -1.201000    
 C    3.127400      0.1618000      0.2158000    
 C  -0.9006000      -1.855600       1.807600    
 C    1.648900     -0.3702000      -1.619300    
 C   0.5390000      -2.718700      7.0000000E-02
 C   0.6070000       2.688900       1.656900    
 C   -3.154800     -0.4416000      -1.882400    
 C   -3.826500      0.7790000      -1.902500    
 C    4.190600      0.2909000     -0.6781000    
 C   -1.474300      -3.118000       1.959400    
 C    2.712000     -0.2412000      -2.513200    
 C  -3.4699999E-02  -3.981100      0.2217000    
 C    3.982800      8.9400001E-02  -2.042400    
 C   -1.041300      -4.180700       1.166500    
 H    1.117100     -0.1006000       1.705000    
 H   -1.709600       3.575500      0.4447000    
 H   -1.477000      -1.556600      -1.207600    
 H   -3.858700       2.833800      -1.217700    
 H    3.306300      0.3094000       1.275600    
 H   -1.237800      -1.039600       2.439300    
 H   0.6773000     -0.6296000      -2.019800    
 H    1.341200      -2.642000     -0.6502000    
 H   -3.552800      -1.284000      -2.442000    
 H   -4.746300      0.8756000      -2.473900    
 H    5.180700      0.5455000     -0.3114000    
 H   -2.256000      -3.274200       2.697000    
 H    2.550900     -0.3988000      -3.575600    
 H   0.3081000      -4.811500     -0.3890000    
 H    4.810600      0.1890000      -2.738300    
 H   -1.486100      -5.164200       1.286400    
 H   0.9225000       4.444400       2.466400    


%chk=000040928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040928

0 1
O 0.119198 4.014548 2.048386
O 1.530006 2.183744 2.382431
N -1.486822 2.719513 0.346657
C 0.698229 -0.333523 0.685670
C -0.383634 0.697983 0.390815
C -1.529359 0.591744 -0.488975
C -0.392892 2.019346 0.888000
C 1.836014 -0.215586 -0.344707
C 0.145049 -1.762078 0.871760
C -2.195626 1.874840 -0.495718
C -2.070718 -0.464624 -1.278730
C -3.358920 2.121683 -1.262824
C 3.144763 0.104694 0.094965
C -0.996771 -1.963526 1.692299
C 1.613063 -0.408691 -1.733361
C 0.788700 -2.899643 0.325284
C 0.516965 2.671574 1.817943
C -3.224598 -0.221668 -2.040016
C -3.861477 1.059295 -2.034298
C 4.209806 0.223712 -0.827544
C -1.487412 -3.260570 1.950615
C 2.674522 -0.290036 -2.656460
C 0.298806 -4.201846 0.581490
C 3.979134 0.024818 -2.207464
C -0.841691 -4.389748 1.393202
H 1.139246 -0.042601 1.659387
H -1.687965 3.692599 0.570514
H -1.605838 -1.455168 -1.274123
H -3.850882 3.100178 -1.258188
H 3.321789 0.277710 1.162581
H -1.504930 -1.094197 2.126772
H 0.607104 -0.643818 -2.097504
H 1.678068 -2.771260 -0.300105
H -3.652658 -1.026327 -2.647335
H -4.761044 1.212493 -2.640906
H 5.214452 0.474708 -0.468636
H -2.371333 -3.391444 2.585345
H 2.484426 -0.440345 -3.725473
H 0.812836 -5.067911 0.148763
H 4.802338 0.118200 -2.924898
H -1.220720 -5.398565 1.591991
H 0.761376 4.431588 2.681294


