%chk=000154016.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154016

0 1
 S    3.344700      7.7799998E-02  0.3809000    
 O   -3.763900      -1.179200       1.854600    
 O    1.374900       3.368300      5.0099999E-02
 O    3.465700       2.940900      0.5652000    
 N  -0.2678000       1.164000     -0.4876000    
 N    2.310400       2.543900      0.2469000    
 C    1.042000     -0.9067000     -0.2621000    
 C   0.8969000      0.5207000     -0.2232000    
 C    2.349100      -1.291100      5.2200001E-02
 C    2.062700       1.168200      0.1105000    
 C   9.8899998E-02  -1.920600     -0.5577000    
 C   -1.664200      0.8269000     -0.3272000    
 C    2.732400      -2.646500      7.7600002E-02
 C   0.4757000      -3.266000     -0.5329000    
 C    1.779200      -3.622800     -0.2188000    
 C   -2.028000     -1.9200001E-02  0.6974000    
 C   -2.580200       1.363700      -1.205200    
 C   -3.375500     -0.3446000      0.8520000    
 C   -3.927700       1.038200      -1.050700    
 C   -4.325200      0.1840000     -2.2100000E-02
 H  -0.2014000       2.132300     -0.8021000    
 H  -0.9131000      -1.698800     -0.8773000    
 H    3.750700      -2.935100      0.3220000    
 H  -0.2528000      -4.034300     -0.7767000    
 H    2.064000      -4.671400     -0.2060000    
 H   -1.307200     -0.4094000       1.409700    
 H   -2.276500       2.027900      -2.008700    
 H   -4.667200       1.449500      -1.731600    
 H   -5.378100     -6.1999999E-02  8.7200001E-02
 H   -4.728700      -1.295000       1.812300    


%chk=000154016-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154016

0 1
S 3.498346 0.077958 0.388354
O -3.829801 -1.271642 1.804556
O 1.266838 3.345882 -0.221814
O 3.448931 3.015455 0.450769
N -0.291424 1.210480 -0.444176
N 2.284824 2.554856 0.107217
C 1.047939 -0.960940 -0.200863
C 0.856351 0.493619 -0.185749
C 2.396280 -1.335386 0.104882
C 2.082505 1.162095 0.066738
C 0.124258 -1.987316 -0.549352
C -1.657643 0.825601 -0.320654
C 2.812795 -2.681683 0.121885
C 0.537693 -3.330354 -0.544757
C 1.870954 -3.680458 -0.197253
C -2.095330 -0.073539 0.681143
C -2.600848 1.459234 -1.174555
C -3.471303 -0.363407 0.795222
C -3.972189 1.168338 -1.030972
C -4.423010 0.249969 -0.056835
H -0.082497 2.227495 -0.556451
H -0.902490 -1.735635 -0.823242
H 3.846747 -2.946608 0.364361
H -0.176837 -4.115162 -0.812447
H 2.174743 -4.732568 -0.189780
H -1.399247 -0.528150 1.390657
H -2.253871 2.157865 -1.942348
H -4.699096 1.653826 -1.690362
H -5.491814 0.023382 0.041589
H -4.812001 -1.379605 1.852938


