%chk=000031823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031823

0 1
 I   -1.613900       2.291400      -1.067200    
 I   -4.217700      -2.931900      0.8062000    
 I    1.646800      -2.782400     -0.2730000    
 I    7.501600      -1.433300      0.2992000    
 O   0.8552000      0.2711000     -0.9617000    
 O   -5.430700       1.501100       1.111800    
 O    1.562000       3.137400      0.9932000    
 O    1.544400       2.955300      -1.265600    
 N   -3.886600      0.1911000     -9.8700002E-02
 C   -2.643500     -0.4555000     -0.1430000    
 C    1.597200      0.9160000      7.0600003E-02
 C   -4.689400      0.2629000      -1.355100    
 C  -0.2697000     -0.4072000     -0.5772000    
 C   -1.501500      0.2430000     -0.5347000    
 C    2.982200      0.3655000      0.1237000    
 C   -2.551600      -1.803100      0.2052000    
 C  -0.1758000      -1.753500     -0.2297000    
 C   -4.377000      0.8609000       1.070800    
 C   -1.317700      -2.452200      0.1619000    
 C   -5.682800     -0.8838000      -1.438100    
 C    3.602300     -7.7799998E-02  -1.044400    
 C    3.657500      0.2937000       1.342200    
 C    1.555500       2.423600     -0.1630000    
 C   -3.570500      0.7457000       2.344000    
 C    4.897700     -0.5926000     -0.9941000    
 C    4.952900     -0.2211000       1.392400    
 C    5.572900     -0.6645000      0.2243000    
 H    1.101200      0.7319000       1.035800    
 H   -5.232500       1.214500      -1.361700    
 H   -4.023800      0.2506000      -2.225100    
 H   -1.244600      -3.503200      0.4336000    
 H   -5.193700      -1.819500      -1.714700    
 H   -6.262800     -0.9986000     -0.5185000    
 H   -6.397800     -0.6755000      -2.242600    
 H    3.106900     -1.3200000E-02  -2.009700    
 H    3.186300      0.6366000       2.259500    
 H   -2.536200       1.056100       2.179800    
 H   -3.596100     -0.2788000       2.719300    
 H   -3.999700       1.402600       3.107000    
 H    5.364100     -0.9286000      -1.916800    
 H    5.460900     -0.2681000       2.352300    
 H    1.548600       4.103900      0.8258000    


%chk=000031823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031823

0 1
I -1.227037 1.671327 -1.462596
I -4.768178 -2.332719 1.695307
I 1.245561 -3.083633 1.598210
I 7.852678 -0.217991 -1.880263
O 0.968556 -0.286333 -0.227507
O -5.587720 1.796525 -0.152684
O 0.509647 1.825607 1.942484
O 1.968056 2.813098 0.420200
N -3.924701 0.191459 -0.354716
C -2.767580 -0.482919 0.153606
C 1.952875 0.329296 0.744325
C -4.354706 -0.075345 -1.764453
C -0.282722 -0.714312 0.243759
C -1.456050 -0.048813 -0.207441
C 3.322139 0.203041 0.127954
C -2.864631 -1.610344 1.018539
C -0.437370 -1.872147 1.051875
C -4.595142 1.203665 0.361580
C -1.716345 -2.302639 1.457268
C -5.565857 -1.019430 -1.884640
C 3.565355 0.664566 -1.188909
C 4.380435 -0.372334 0.868592
C 1.522846 1.791394 0.974290
C -4.064958 1.543890 1.749607
C 4.847404 0.543484 -1.763425
C 5.674038 -0.488719 0.310738
C 5.893472 -0.030891 -1.005950
H 1.891741 -0.200892 1.710850
H -4.605876 0.903152 -2.210464
H -3.483270 -0.488261 -2.303199
H -1.819123 -3.186480 2.089706
H -5.343490 -2.027651 -1.495578
H -6.430149 -0.608119 -1.337852
H -5.846082 -1.113702 -2.950500
H 2.752716 1.111447 -1.768910
H 4.205076 -0.737529 1.887497
H -2.966024 1.649374 1.763077
H -4.339558 0.757415 2.476379
H -4.532097 2.488282 2.065688
H 5.026906 0.895435 -2.782850
H 6.486132 -0.933422 0.892344
H 0.193633 2.762668 2.062064


