%chk=000122613.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122613

0 1
 S    3.298300      0.9075000      0.6394000    
 S  -4.7100000E-02  -1.885900       1.010100    
 S  -0.9933000      -1.571800     -0.7860000    
 O    4.421300      0.8622000     -0.2827000    
 O    3.400900       1.683100       1.864300    
 O    3.689700      -3.120200      -1.541300    
 O    4.899300      -2.069600      6.4599998E-02
 O   -3.911900      -1.567100       1.474200    
 O   -4.665000      -1.859200     -0.6456000    
 N    2.839100     -0.6885000       1.032000    
 N   -2.779200       2.940800     -0.4873000    
 N   -3.668500      -4.565500     -5.4900002E-02
 C    1.889200       1.491300     -0.2335000    
 C   0.6582000       1.747300      0.3923000    
 C  -0.4286000       2.216000     -0.3836000    
 C   -1.659600       2.471500      0.2422000    
 C    2.520100      -1.646700     -3.5999998E-02
 C    2.046200       1.694400      -1.604900    
 C   0.4819000       1.548000       1.771300    
 C  -0.2525000       2.414800      -1.762800    
 C   0.9775000       2.155300      -2.367900    
 C   -1.816800       2.268000       1.613400    
 C    1.503200      -2.672900      0.4672000    
 C  -0.7481000       1.807200       2.376600    
 C    3.821100      -2.293600     -0.4733000    
 C   -3.700800       2.002700      -1.089600    
 C   -3.000900       4.361200     -0.6467000    
 C   -1.928100      -3.107700     -0.9843000    
 C   -2.919200      -3.326000      0.1605000    
 C   -3.926300      -2.196700      0.2722000    
 H    2.125900      -1.125100     -0.9133000    
 H    2.573600     -0.9295000       1.994200    
 H    2.984300       1.500500      -2.115900    
 H    1.246600       1.156400       2.429400    
 H   -1.057900       2.774900      -2.397900    
 H    1.099900       2.312300      -3.435700    
 H   -2.770400       2.462600       2.098100    
 H    1.292900      -3.438500     -0.2876000    
 H    1.913900      -3.204100       1.334400    
 H  -0.8750000       1.639900       3.442300    
 H   -3.231200       1.482500      -1.930700    
 H   -4.024300       1.252800     -0.3593000    
 H   -4.601900       2.500000      -1.464000    
 H   -3.391500       4.790100      0.2821000    
 H   -2.070900       4.881400     -0.9012000    
 H   -3.719900       4.573500      -1.445000    
 H   -1.226700      -3.945900      -1.066600    
 H   -2.457300      -3.039500      -1.942100    
 H   -2.400700      -3.436800       1.118100    
 H    4.548600      -3.510500      -1.809900    
 H   -3.020400      -5.349000     -0.1264000    
 H   -4.255400      -4.756400      0.7567000    
 H   -4.558300     -0.8301000       1.509100    


%chk=000122613-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122613

0 1
S 3.511473 0.849231 0.074275
S -0.049275 -1.903172 1.536557
S -0.864621 -1.488556 -0.542004
O 4.374978 0.276741 -1.192608
O 4.199700 1.865239 1.139489
O 3.623713 -3.357907 -1.175432
O 4.880768 -2.631862 0.645273
O -5.435159 -2.622995 -0.265217
O -3.972782 -1.410153 -1.597278
N 2.911758 -0.586716 1.140368
N -2.759621 3.110087 -0.259777
N -3.578945 -4.634174 -0.197137
C 1.864299 1.465926 -0.634030
C 0.859432 2.038131 0.212436
C -0.391316 2.386435 -0.448796
C -1.498262 2.891628 0.350606
C 2.579569 -1.775569 0.334976
C 1.760365 1.324829 -2.013812
C 1.031246 2.312628 1.605998
C -0.481287 2.284565 -1.873483
C 0.566941 1.778107 -2.646256
C -1.265779 3.193514 1.706900
C 1.608032 -2.703259 1.111787
C -0.009164 2.916491 2.315037
C 3.830014 -2.595617 -0.028803
C -3.456062 1.977896 -0.918216
C -3.684332 4.065273 0.368046
C -1.764028 -3.118788 -0.885203
C -3.106383 -3.238260 -0.138963
C -4.159555 -2.323020 -0.768283
H 2.074403 -1.465596 -0.598821
H 3.703030 -0.765946 1.793966
H 2.591368 0.896408 -2.583809
H 1.978772 2.077768 2.096085
H -1.386259 2.654662 -2.363453
H 0.481917 1.729520 -3.736011
H -2.072592 3.603951 2.321385
H 1.419673 -3.615404 0.521381
H 2.025642 -2.985297 2.095920
H 0.127662 3.152192 3.376272
H -2.752314 1.179021 -1.190517
H -4.209093 1.529420 -0.232635
H -3.981508 2.316897 -1.830958
H -4.204031 3.652254 1.264435
H -3.145830 4.980845 0.664632
H -4.460209 4.344217 -0.367634
H -1.093074 -3.941524 -0.591838
H -1.911269 -3.147847 -1.977740
H -2.958149 -2.858645 0.903751
H 4.449211 -3.869388 -1.395432
H -2.992033 -5.288489 0.327545
H -4.578465 -4.744886 -0.003388
H -6.108567 -2.019407 -0.680885


