%chk=000060885.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060885

0 1
 S   -1.745000       1.615700      -2.201300    
 O   -1.037000       1.875000       2.138100    
 O   -4.736300     -0.7143000      0.6208000    
 O    1.213100     -0.8122000      0.7093000    
 O   -2.643300      -1.469300       1.243400    
 O   -6.779200      -1.881800       1.089500    
 N   -1.453400      0.6269000      0.1787000    
 N    1.579300       1.445700      0.1780000    
 N    3.876200       1.437500      0.1827000    
 C  -0.5943000      0.8838000     -0.9808000    
 C   0.1928000       1.863200     -9.9200003E-02
 C   -2.888800      0.5689000     -8.6000003E-03
 C   -3.160400      0.6093000      -1.527900    
 C  -0.8033000       1.486900       1.015900    
 C    2.716400       2.340100      0.1385000    
 C    1.942700      0.1571000      0.5604000    
 C    3.435200      0.1791000      0.7964000    
 C   -4.474400       1.327700      -1.840500    
 C   -3.134100     -0.7621000      -2.216300    
 C   -3.376200     -0.6571000      0.6957000    
 C    2.728800       3.279400       1.351400    
 C    2.788100       3.138000      -1.165500    
 C    4.149900      -1.019600      0.2251000    
 C    5.316000      -1.495700      0.8296000    
 C    3.649600      -1.659300     -0.9119000    
 C   -5.362300      -1.845200       1.251100    
 C    5.977400      -2.604200      0.3010000    
 C    4.310900      -2.767800      -1.440600    
 C    5.474800      -3.240200     -0.8341000    
 C   -7.163300      -1.905500     -0.2788000    
 H  -8.0600001E-02 -1.3100000E-02  -1.336900    
 H   0.1115000       2.920200     -0.3740000    
 H   -3.316900       1.441600      0.5029000    
 H    3.573700      0.2231000       1.884800    
 H    4.655100       1.841000      0.7001000    
 H   -4.623200       1.439700      -2.921000    
 H   -5.333600      0.7710000      -1.454500    
 H   -4.507600       2.328200      -1.393900    
 H   -3.986500      -1.377600      -1.907800    
 H   -3.197100     -0.6639000      -3.306800    
 H   -2.224000      -1.326100      -1.983100    
 H    3.623700       3.911900       1.359500    
 H    1.853700       3.939200       1.343700    
 H    2.701100       2.721800       2.295000    
 H    3.722900       3.706900      -1.233000    
 H    1.965900       3.857100      -1.245900    
 H    2.731100       2.479800      -2.040900    
 H    5.718600      -1.008000       1.713500    
 H    2.760000      -1.303400      -1.424000    
 H   -4.935900      -2.774300      0.8536000    
 H   -5.162300      -1.799800       2.326900    
 H    6.884100      -2.971600      0.7726000    
 H    3.923200      -3.259700      -2.327900    
 H    5.990500      -4.102400      -1.246700    
 H   -6.693900      -2.746600     -0.7982000    
 H   -8.248700      -2.028200     -0.3273000    
 H   -6.902400     -0.9643000     -0.7698000    


%chk=000060885-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060885

0 1
S -1.667954 1.432863 -2.473173
O -1.029546 2.208445 2.019856
O -5.224971 0.097171 0.686915
O 1.245712 -0.995876 0.511283
O -3.386628 -1.281967 1.146117
O -6.776804 -1.795731 0.688653
N -1.670872 0.824819 0.126324
N 1.622732 1.291040 0.061916
N 3.903964 1.403581 0.322747
C -0.709502 0.711674 -0.998030
C 0.256268 1.674241 -0.210739
C -3.107260 0.839872 -0.134378
C -3.303907 0.688308 -1.709006
C -0.854945 1.653866 0.919268
C 2.719106 2.303124 0.197951
C 2.002767 0.008008 0.438851
C 3.517146 0.049921 0.764498
C -4.494465 1.525006 -2.205990
C -3.413942 -0.786997 -2.149328
C -3.866217 -0.251015 0.639149
C 2.484221 3.171782 1.465156
C 2.857096 3.179073 -1.065164
C 4.294402 -1.081402 0.089000
C 4.245512 -2.385290 0.640954
C 5.037511 -0.854004 -1.092926
C -6.146728 -0.805738 1.481613
C 4.931219 -3.450011 0.016004
C 5.728204 -1.918253 -1.715662
C 5.677345 -3.219308 -1.163803
C -5.990420 -3.023137 0.447318
H -0.336885 -0.299240 -1.201254
H 0.245131 2.675687 -0.673278
H -3.530177 1.812938 0.180898
H 3.588269 -0.095160 1.868676
H 4.693174 1.823986 0.822718
H -4.617738 1.417047 -3.297965
H -5.421639 1.176098 -1.716186
H -4.357700 2.595878 -1.975021
H -4.370861 -1.220586 -1.799227
H -3.395236 -0.849906 -3.249840
H -2.586438 -1.399948 -1.752447
H 3.301459 3.908190 1.578175
H 1.530267 3.725905 1.408267
H 2.446052 2.536268 2.367341
H 3.783929 3.774973 -0.991414
H 2.016452 3.887963 -1.180987
H 2.928234 2.539547 -1.960148
H 3.656626 -2.568299 1.547412
H 5.064897 0.161109 -1.502531
H -5.551210 -1.231994 2.312617
H -6.932825 -0.113826 1.810531
H 4.884127 -4.456294 0.447346
H 6.304936 -1.733588 -2.629473
H 6.213396 -4.044584 -1.646429
H -5.539376 -3.395687 1.386147
H -6.707785 -3.756059 0.049038
H -5.185820 -2.841981 -0.287339


