%chk=000119565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119565

0 1
 S    1.103500      0.4329000     -0.3045000    
 O    1.089900      0.1155000      -1.725100    
 O   -4.249000       1.442900      0.4610000    
 O   -4.994600     -0.4375000     -0.5670000    
 N    1.146200       1.865500      0.2812000    
 N   -2.855200      -1.863400      9.6500002E-02
 C  -0.2876000     -0.3775000      0.4200000    
 C    2.482400     -0.4459000      0.3998000    
 C   -1.597800      0.2359000     -6.1799999E-02
 C    3.806900      0.1061000     -0.1043000    
 C   -2.822000     -0.4707000      0.5354000    
 C    4.988200     -0.6618000      0.4855000    
 C    6.315700     -8.9299999E-02  1.4900000E-02
 C   -4.126900      0.1473000      6.8400003E-02
 H  -0.2150000      -1.433600      0.1416000    
 H  -0.1971000     -0.2970000       1.508200    
 H    2.370900      -1.499200      0.1220000    
 H    2.410200     -0.3619000       1.489100    
 H   -1.647300      0.2126000      -1.158700    
 H   -1.632100       1.297400      0.2113000    
 H    3.843000      5.0200000E-02  -1.199200    
 H    3.895100       1.167200      0.1578000    
 H   -2.798600     -0.4418000       1.630100    
 H    4.927700      -1.717500      0.1965000    
 H    4.949200     -0.6222000       1.580300    
 H   0.3125000       2.425900      8.4899999E-02
 H    6.422100      0.9569000      0.3191000    
 H    7.146900     -0.6548000      0.4476000    
 H    6.400700     -0.1408000      -1.075200    
 H   -2.915100      -1.913000     -0.9198000    
 H   -3.685400      -2.327000      0.4630000    
 H   -5.098600       1.835100      0.1669000    


%chk=000119565-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119565

0 1
S 0.959834 1.485981 0.371148
O 0.502864 1.311827 -1.231153
O -4.415860 -0.444601 -0.081932
O -3.276639 -1.715205 -1.658696
N 1.897428 2.794553 0.936586
N -0.763651 -1.202841 -0.348606
C -0.743656 1.200884 1.418348
C 2.082616 0.019187 0.878830
C -1.897010 0.839734 0.491023
C 3.272942 -0.067917 -0.077040
C -2.008820 -0.685968 0.227252
C 4.177082 -1.276058 0.278192
C 5.375130 -1.397626 -0.688161
C -3.251860 -1.006086 -0.631725
H -0.468606 0.419016 2.144937
H -0.852077 2.179842 1.913260
H 1.392473 -0.840064 0.814122
H 2.366205 0.265462 1.914915
H -1.758191 1.364363 -0.476391
H -2.846711 1.195031 0.929369
H 2.904333 -0.171704 -1.115949
H 3.856985 0.869805 -0.026400
H -2.200452 -1.184192 1.202760
H 3.579295 -2.209342 0.248187
H 4.547498 -1.169720 1.317621
H 1.427670 3.677120 0.613678
H 6.001096 -0.486546 -0.660101
H 6.016330 -2.258288 -0.424339
H 5.031187 -1.536880 -1.729872
H -0.368579 -0.561503 -1.058641
H -0.846346 -2.166001 -0.693343
H -5.203708 -0.705763 -0.632381


