%chk=000071886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071886

0 1
 S   -3.534600       2.239500     -4.4999998E-03
 O   -1.180000      -1.065300      -1.721100    
 O   -5.502300      -2.077100      7.9999998E-04
 O   -3.493700      -2.369600       1.038200    
 O    1.551000      0.5103000      -1.800500    
 N   -2.496500     -0.1376000      4.1999999E-03
 N   0.4135000       1.113600      0.1289000    
 N    3.640700       1.950400     -0.3368000    
 N    4.339600       2.571200      0.4801000    
 N    4.986200       3.149000       1.221100    
 C   -2.122300       1.190400      0.4993000    
 C   -4.711600      0.8066000      0.1721000    
 C   -3.885400     -0.4053000     -0.3098000    
 C  -0.9237000       1.138400     -0.4581000    
 C   -1.456300     -0.2478000     -0.8727000    
 C   -5.150700      0.7346000       1.640900    
 C   -5.925900       1.046700     -0.7267000    
 C   -4.237700      -1.712600      0.3254000    
 C    1.558100      0.7963000     -0.6045000    
 C    2.833500      0.8559000      0.2217000    
 C    3.556600     -0.4711000      0.2018000    
 C    3.264300      -1.416900       1.170600    
 C    4.497700     -0.7153000     -0.7847000    
 C    3.932000      -2.641500       1.152300    
 C    5.165200      -1.940000     -0.8032000    
 C    4.882300      -2.903100      0.1654000    
 H   -1.896800       1.187300       1.570000    
 H   -3.951800     -0.5338000      -1.398600    
 H  -0.9666000       1.860400      -1.283400    
 H   -5.615400       1.673200       1.966300    
 H   -5.896400     -5.3500000E-02   1.794000    
 H   -4.312400      0.5250000       2.314800    
 H   -6.460500       1.961300     -0.4438000    
 H   -5.640500       1.139600      -1.781100    
 H   -6.641300      0.2207000     -0.6543000    
 H   0.5257000       1.343700       1.113100    
 H    2.581100       1.096900       1.264200    
 H   -5.753200      -2.933000      0.4091000    
 H    2.524000      -1.223600       1.941700    
 H    4.726900      1.1300000E-02  -1.558300    
 H    3.711100      -3.391700       1.905800    
 H    5.902900      -2.145200      -1.573500    
 H    5.401200      -3.857100      0.1504000    


%chk=000071886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071886

0 1
S -3.103790 1.668581 -1.117362
O -1.778126 -2.571120 -0.284394
O -6.390031 -1.424281 0.953367
O -4.784473 -0.890562 2.552268
O 1.466090 1.294315 -0.919308
N -2.883553 -0.514964 0.398453
N 0.325361 -0.105599 0.544228
N 3.152138 1.768930 1.387024
N 4.304030 1.902823 1.898001
N 5.339949 2.227735 2.377257
C -2.125191 0.750511 0.221776
C -4.747211 0.897113 -0.400315
C -4.317785 -0.549973 0.126552
C -0.886872 -0.111447 -0.246231
C -1.840081 -1.347392 -0.075929
C -5.253376 1.815467 0.733029
C -5.768559 0.785978 -1.545396
C -5.130668 -0.957788 1.359153
C 1.454401 0.585999 0.123063
C 2.702782 0.374498 1.014468
C 3.764519 -0.453210 0.292530
C 4.200225 -1.679962 0.849614
C 4.327118 0.004629 -0.926969
C 5.186352 -2.450348 0.192652
C 5.314081 -0.764676 -1.577901
C 5.745419 -1.992973 -1.022083
H -1.990429 1.368990 1.120325
H -4.520639 -1.294277 -0.665927
H -0.628107 0.090041 -1.299555
H -5.421758 2.830994 0.338566
H -6.213994 1.442283 1.137688
H -4.532199 1.885529 1.565496
H -6.051387 1.787407 -1.914377
H -5.361976 0.206129 -2.391964
H -6.683169 0.282458 -1.181744
H 0.354793 -0.651313 1.407802
H 2.412273 -0.158630 1.944692
H -6.921853 -1.687649 1.752881
H 3.773261 -2.034355 1.796657
H 3.974365 0.947062 -1.359123
H 5.518001 -3.398910 0.628606
H 5.746065 -0.409307 -2.519769
H 6.512004 -2.587536 -1.531199


