%chk=000001291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001291

0 1
 S   0.7571000       1.764700      0.3286000    
 S   -2.124000       1.399100     -0.3325000    
 S   -4.629100     -9.5600002E-02 -0.5402000    
 O   0.5014000       2.621200       1.469000    
 O   0.9904000       2.291600     -0.9997000    
 O    3.925500      0.9930000      -1.285300    
 O   -4.790200      0.9661000      -1.527200    
 O   -4.940700      -1.478100     -0.8808000    
 N    1.979500      0.6032000      0.7237000    
 N   0.9796000      -2.151100     -3.8400002E-02
 N   -5.541400      0.3385000      0.8491000    
 C   0.4436000      -1.364600       1.075800    
 C    1.547800     -0.4683000       1.691300    
 C  -0.7456000     -0.5901000      0.5662000    
 C  -0.6671000      0.7399000      0.2130000    
 C    3.321200       1.151700       1.031800    
 C   -2.076100      -1.076800      0.3733000    
 C   -2.924100     -0.1026000     -0.1140000    
 C    2.140100      -2.917500      0.3857000    
 C    4.329700      0.6246000      2.7300000E-02
 C    2.684700      -3.764200     -0.7521000    
 C    4.837500      0.5154000      -2.264600    
 H   8.8299997E-02  -2.046600       1.860500    
 H    1.137900      3.9700001E-02   2.576600    
 H    2.403100      -1.028400       2.077400    
 H    3.627600      0.9056000       2.053900    
 H    3.294100       2.245700      0.9643000    
 H   0.2626000      -2.788400     -0.3858000    
 H   -2.393000      -2.091100      0.5803000    
 H    2.977200      -2.282000      0.6804000    
 H    1.889200      -3.573500       1.227500    
 H    4.399100     -0.4666000      9.4599999E-02
 H    5.316100       1.051600      0.2412000    
 H    3.561300      -4.329500     -0.4194000    
 H    1.936000      -4.481500      -1.105000    
 H    2.987400      -3.139900      -1.599800    
 H   -5.556100     -0.3411000       1.620400    
 H   -5.442400       1.306800       1.180200    
 H    4.884800     -0.5777000      -2.243300    
 H    5.832900      0.9397000      -2.101900    
 H    4.480700      0.8296000      -3.249100    


%chk=000001291-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001291

0 1
S 0.655581 2.323847 0.842706
S -2.252158 1.362715 -0.027904
S -4.278543 -1.089754 -0.270137
O 0.356519 2.998225 2.300051
O 0.815405 3.289878 -0.448631
O 3.826022 0.293442 -1.251727
O -4.695456 -0.694160 -1.786591
O -4.215772 -2.642327 0.222532
N 2.083152 1.129063 0.857089
N 1.702886 -1.657139 0.259834
N -5.375523 -0.064836 0.779431
C 0.958473 -0.980824 1.337598
C 1.871955 0.118741 1.925916
C -0.381225 -0.367594 0.877264
C -0.600413 0.967862 0.561197
C 3.402947 1.759843 0.649718
C -1.579028 -1.142458 0.644700
C -2.630091 -0.375679 0.180487
C 1.085217 -2.840199 -0.371878
C 4.374333 0.744993 0.026110
C 2.096221 -3.550465 -1.289157
C 4.769711 -0.555204 -1.984465
H 0.733143 -1.726355 2.126835
H 1.444251 0.565084 2.848071
H 2.847250 -0.332556 2.175355
H 3.854184 2.154447 1.586480
H 3.259009 2.597708 -0.056460
H 2.095311 -0.975199 -0.413569
H -1.667220 -2.216673 0.825402
H 0.766559 -3.532419 0.434570
H 0.171467 -2.595027 -0.963455
H 4.535083 -0.126069 0.699558
H 5.353461 1.252607 -0.123286
H 1.641343 -4.444630 -1.751785
H 2.425527 -2.879597 -2.104865
H 2.987114 -3.861151 -0.715487
H -5.467897 -0.478786 1.721129
H -6.274684 0.053819 0.284637
H 5.009140 -1.479687 -1.417897
H 5.711228 -0.010667 -2.206293
H 4.272118 -0.820321 -2.930082


