%chk=000063553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063553

0 1
 S    3.204900      -1.529200      -1.338200    
 O   7.2200000E-02  -3.546500     -0.3770000    
 O   -2.043000      -2.199300      0.6356000    
 O   -7.050100       1.243000      -1.089200    
 O   -6.521000     -0.8838000     -0.9627000    
 N    1.327900      -1.741000      0.4203000    
 N  -0.5328000     -0.5293000       1.238000    
 N   -1.134800       1.766200       1.090000    
 N    2.921100     -1.3400000E-02  0.8147000    
 N   -6.233700      0.3292000     -0.8193000    
 C   0.5160000      -1.473400       1.591100    
 C    2.446000     -0.9952000      0.1295000    
 C    1.016100      -2.766600     -0.4684000    
 C   -2.753200      3.3199999E-02  0.4440000    
 C   -1.759000      -1.013500      0.7749000    
 C    1.991800      -2.835900      -1.614900    
 C   -2.399100       1.378200      0.6157000    
 C  -0.2927000      0.8265000       1.368300    
 C   -4.020900     -0.3195000     -3.0500000E-02
 C   -3.338000       2.367500      0.3031000    
 C   -4.944500      0.6787000     -0.3371000    
 C    4.083700      0.5871000      0.2996000    
 C   -4.604300       2.019900     -0.1708000    
 C    3.994900       1.654800     -0.5887000    
 C    5.326500      9.7700000E-02  0.6915000    
 C    5.158700       2.238200      -1.089600    
 C    2.670500       2.193800      -1.020900    
 C    6.490400      0.6812000      0.1908000    
 C    6.406400       1.751400     -0.6998000    
 H   7.0200004E-02  -2.408400       1.946200    
 H    1.138600      -1.050000       2.386500    
 H    2.482200      -3.812300      -1.621100    
 H    1.463300      -2.668100      -2.556500    
 H   0.7033000       1.083400       1.755700    
 H   -4.270600      -1.370200     -0.1548000    
 H   -3.087400       3.418400      0.4275000    
 H   -5.299500       2.823700     -0.3999000    
 H    5.402800     -0.7340000       1.387000    
 H    5.111100       3.071600      -1.785400    
 H    2.778600       3.131800      -1.576600    
 H    2.154100       1.483000      -1.672800    
 H    2.039800       2.412400     -0.1530000    
 H    7.461800      0.3024000      0.4946000    
 H    7.312700       2.205300      -1.089900    


%chk=000063553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063553

0 1
S 3.235528 -2.198583 -1.556532
O 0.609194 -4.495880 0.379501
O -1.575099 -2.183000 -0.101679
O -6.277837 2.041822 -1.644602
O -5.734341 -0.116794 -2.148458
N 1.416745 -2.284555 0.436775
N -0.334556 -0.807788 1.336717
N -0.928546 1.484097 1.804550
N 2.579854 -0.222796 0.391157
N -5.517790 1.001780 -1.543379
C 0.608198 -1.917597 1.603862
C 2.379578 -1.399664 -0.098201
C 1.304058 -3.582600 -0.118591
C -2.338677 0.102523 0.290340
C -1.437881 -1.057999 0.452918
C 2.140795 -3.727945 -1.384649
C -2.055462 1.332730 0.976163
C -0.135990 0.436422 1.936856
C -3.478071 -0.008706 -0.539178
C -2.935334 2.440542 0.812627
C -4.319003 1.105406 -0.674220
C 3.624138 0.654383 -0.035549
C -4.064189 2.334303 -0.006870
C 3.295343 1.976151 -0.464972
C 4.980455 0.238953 0.044222
C 4.359164 2.841974 -0.816112
C 1.853042 2.431785 -0.559442
C 6.020475 1.125064 -0.305272
C 5.710322 2.433019 -0.739617
H 0.041536 -2.826966 1.871678
H 1.264784 -1.601057 2.430657
H 2.768305 -4.628776 -1.320393
H 1.471925 -3.803239 -2.257164
H 0.763991 0.524743 2.552319
H -3.692522 -0.946494 -1.059588
H -2.698756 3.365666 1.345015
H -4.755437 3.168759 -0.149180
H 5.211858 -0.771261 0.400206
H 4.118656 3.856652 -1.155077
H 1.791033 3.464496 -0.942361
H 1.265352 1.782585 -1.235307
H 1.352828 2.401735 0.425731
H 7.062807 0.796028 -0.234312
H 6.510528 3.129083 -1.013089


