%chk=000127289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127289

0 1
 S    5.325200       1.259400     -0.9743000    
 O   -4.480500     -0.5774000     -0.4741000    
 O   -3.727200       2.013300      0.1908000    
 N    3.037200     -5.4099999E-02  0.7180000    
 N   0.8175000      0.6360000      0.5468000    
 N    1.447900      -1.654900      0.1452000    
 N  -0.1708000      -3.262000     -0.4327000    
 C    3.451300       1.308800       1.070100    
 C    4.130200     -0.9219000      0.2609000    
 C    3.904500       2.073200     -0.1709000    
 C    4.654400     -0.4327000      -1.087900    
 C    1.705800     -0.3746000      0.4576000    
 C  -0.4689000      0.3339000      0.2975000    
 C  -0.8634000     -0.9713000     -3.9500002E-02
 C   0.1511000      -1.922800     -9.8499998E-02
 C   -1.456100       1.314000      0.3664000    
 C   -2.211300      -1.275400     -0.2983000    
 C   -2.798700       1.019600      0.1104000    
 C   -3.177000     -0.2764000     -0.2223000    
 C   -5.278700     -0.9851000      0.6358000    
 C   -3.992500       2.750300      -1.000900    
 H    4.271100       1.259800       1.799100    
 H    2.650400       1.859500       1.577500    
 H    3.822900      -1.970700      0.1806000    
 H    4.937400     -0.9128000       1.005300    
 H    3.093000       2.153200     -0.9019000    
 H    4.205200       3.088600      0.1051000    
 H    5.455900      -1.091600      -1.436100    
 H    3.863000     -0.4428000      -1.844900    
 H   -1.178300       2.334400      0.6264000    
 H   -2.527400      -2.282000     -0.5610000    
 H  -0.5273000      -3.377100      -1.377200    
 H  -0.7615000      -3.727100      0.2510000    
 H   -4.878800      -1.902700       1.078900    
 H   -6.291600      -1.183300      0.2748000    
 H   -5.324400     -0.1924000       1.389300    
 H   -3.088400       3.263300      -1.343800    
 H   -4.756600       3.499800     -0.7773000    
 H   -4.370600       2.089000      -1.787000    


%chk=000127289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127289

0 1
S 5.916445 1.096898 -0.510042
O -4.620820 -0.624987 -0.430319
O -3.818132 2.077842 0.322847
N 3.065974 0.004408 0.534505
N 0.813096 0.689466 0.457684
N 1.465579 -1.599840 -0.117863
N -0.058399 -3.229346 -0.752820
C 3.472819 1.362247 0.942639
C 4.146073 -0.977877 0.334503
C 4.320077 2.056461 -0.139660
C 5.079850 -0.576916 -0.823972
C 1.733220 -0.297317 0.285927
C -0.507521 0.348567 0.225310
C -0.908113 -0.978760 -0.185759
C 0.178303 -1.932772 -0.349336
C -1.518586 1.349031 0.371761
C -2.287124 -1.272341 -0.383987
C -2.863206 1.053193 0.140886
C -3.262621 -0.287048 -0.211363
C -5.472859 -0.537278 0.780080
C -4.594862 2.429697 -0.890095
H 4.059053 1.294812 1.880918
H 2.550186 1.936246 1.130280
H 3.673442 -1.950516 0.122707
H 4.737422 -1.057686 1.269024
H 3.749412 2.162664 -1.077637
H 4.653736 3.051405 0.199814
H 5.907617 -1.298412 -0.929848
H 4.522833 -0.517286 -1.774421
H -1.226064 2.363213 0.654820
H -2.640338 -2.273085 -0.658137
H -0.988121 -3.564879 -0.982019
H 0.742247 -3.850420 -0.848275
H -5.135637 -1.272067 1.535863
H -6.490314 -0.786332 0.441876
H -5.444427 0.480751 1.208383
H -3.920978 2.856525 -1.656701
H -5.318191 3.191260 -0.561596
H -5.117070 1.545483 -1.297074


