%chk=000002660.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002660

0 1
 S  -0.3078000       2.843700      -1.837700    
 O  -2.8500000E-02  -1.773700      -2.299600    
 O   -2.493100      -1.702800     -0.3107000    
 O   -4.158300       2.407000      0.8166000    
 O   -3.819700     -0.9350000      -2.047400    
 O    3.607100       2.021100      -1.219800    
 O   -2.953400      -3.625700       1.007000    
 O    5.127100       1.000200       3.216100    
 O    6.300300      -1.380400     -0.1157000    
 O   -6.457500       2.428900      0.7018000    
 O   -3.983600      -1.897900       2.143300    
 N  -0.7662000      0.2689000      -1.380800    
 N    2.446300     -1.8999999E-02  -1.241400    
 N    5.257100     -0.8619000     -0.8955000    
 N   -5.355800       3.233700       2.552500    
 C   0.2193000       1.290800      -1.078300    
 C    1.215700      0.4337000      -1.889400    
 C   8.7300003E-02 -0.6365000      -1.906700    
 C   -2.093400      0.4011000      -1.125900    
 C   -2.641900       1.606000     -0.8402000    
 C   -1.858200       2.916000     -0.8775000    
 C   -4.088800       1.822100     -0.4666000    
 C   -2.918200     -0.8110000      -1.238000    
 C    3.508100      0.8289000     -0.9783000    
 C    4.664700      0.1336000     -0.3079000    
 C   -3.181900      -2.968000     -0.2570000    
 C    5.143300      0.5515000       1.013700    
 C   -5.415600       2.668300       1.302900    
 C   -2.628200      -3.880700      -1.342100    
 C    6.426400       1.021700       1.382200    
 C    4.389600      0.5569000       2.164400    
 C    6.365400       1.281000       2.731600    
 C   -3.406500      -2.976300       2.116900    
 C   -3.090600      -3.789000       3.335600    
 C    6.889500      -2.457400     -0.8279000    
 H   0.4428000       1.355000     -6.3000000E-03
 H    1.431100      0.7956000      -2.904000    
 H   -1.623200       3.232900      0.1445000    
 H   -2.466700       3.700400      -1.340000    
 H    2.543500     -0.9942000     -0.9681000    
 H   -4.655400      0.8862000     -0.4524000    
 H   -4.556500       2.485300      -1.204900    
 H   -4.263000      -2.830800     -0.3873000    
 H   -2.772800      -3.457300      -2.340300    
 H   -3.103300      -4.866000      -1.300500    
 H   -1.551900      -4.032200      -1.202900    
 H    7.290000       1.161700      0.7475000    
 H    3.367600      0.2901000       2.392400    
 H    7.077500       1.650500       3.454900    
 H   -4.467900       3.412600       3.009400    
 H   -6.197400       3.490000       3.057500    
 H   -3.588600      -4.759800       3.273500    
 H   -3.455900      -3.266500       4.224500    
 H   -2.008900      -3.915600       3.426600    
 H    7.704200      -2.866900     -0.2247000    
 H    7.299600      -2.105300      -1.779600    
 H    6.151700      -3.246400      -1.003900    


%chk=000002660-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002660

0 1
S -0.714084 3.221528 -0.417988
O 0.119238 -0.922321 -2.402175
O -2.167643 -1.938847 -0.794078
O -5.026319 1.945412 1.205427
O -4.070019 -0.935058 -1.720103
O 3.703683 2.146561 -1.182131
O -2.395661 -4.170917 -0.086457
O 7.794862 2.320242 -0.437267
O 5.352549 -1.484315 1.454497
O -5.560446 4.087454 0.353546
O -4.233130 -3.254217 1.039781
N -0.921610 0.461369 -0.667815
N 2.318090 0.481468 -0.329724
N 4.310169 -0.748340 0.789478
N -6.072226 3.443099 2.553384
C -0.059409 1.490369 -0.040960
C 1.125647 0.997409 -0.949830
C 0.099614 -0.038302 -1.532211
C -2.333193 0.427647 -0.657624
C -3.066462 1.513473 -0.225455
C -2.442407 2.814512 0.253225
C -4.579472 1.504519 -0.152273
C -2.970373 -0.844915 -1.125133
C 3.553676 1.083368 -0.507968
C 4.715305 0.361574 0.175978
C -2.653206 -3.282002 -1.222211
C 6.063191 0.919317 0.094861
C -5.564378 3.248559 1.290515
C -1.833263 -3.770098 -2.400433
C 7.297260 0.391952 0.681235
C 6.427906 2.094860 -0.574616
C 8.311099 1.257755 0.341101
C -3.274837 -4.050896 1.020012
C -2.852780 -5.003006 2.113222
C 4.752817 -2.691008 2.058893
H 0.069359 1.365067 1.045304
H 1.419512 1.756138 -1.697321
H -2.385614 2.828863 1.356623
H -3.080234 3.662387 -0.053257
H 2.312305 -0.391342 0.210315
H -5.012912 0.507257 -0.295947
H -5.004046 2.207482 -0.894663
H -3.738577 -3.204097 -1.411731
H -1.996738 -3.108468 -3.266574
H -2.138139 -4.796460 -2.667248
H -0.760098 -3.755278 -2.154699
H 7.383516 -0.513158 1.271478
H 5.860779 2.816456 -1.151189
H 9.378419 1.294606 0.535979
H -6.066326 2.685793 3.232621
H -6.486455 4.342844 2.779784
H -2.698489 -6.015470 1.704353
H -3.616103 -5.023536 2.904029
H -1.889987 -4.671668 2.541549
H 5.596762 -3.209322 2.540202
H 4.301704 -3.327887 1.278845
H 3.993674 -2.409310 2.808944


