%chk=000002657.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002657

0 1
 S  -0.9014000      -3.172200       1.674600    
 S   -4.782700     -0.1669000       1.926000    
 S    3.374600       3.127500      0.6890000    
 O  -5.9400000E-02  -2.078600      -2.767100    
 O   -2.583100     -0.2043000      -2.361400    
 O   -3.929500      -2.052900      -2.370500    
 O    2.995100      -2.340800       1.654600    
 O    6.351000     -0.1958000      0.1829000    
 O  -0.6570000       2.325600       1.175000    
 O   -1.639600       3.808900     -0.7460000    
 N   -1.059800      -1.882000     -0.6407000    
 N    2.111700      -1.634900     -0.4026000    
 N   -4.507300       1.967800      0.2615000    
 N    5.404600      -1.211500      0.3773000    
 N   -2.596500       1.143600       1.461600    
 N   -3.731800       2.878100     -0.4367000    
 N    4.405200       1.347900     -0.8773000    
 N    4.392100       3.552900      -1.730800    
 C  -0.2109000      -1.951500      0.5349000    
 C   0.8996000      -2.450600     -0.4150000    
 C  -9.2000000E-02  -2.093600      -1.558900    
 C   -2.399300      -1.664700     -0.5933000    
 C   -3.094700      -1.784000      0.5628000    
 C   -2.471400      -2.262700       1.872000    
 C   -4.565900      -1.480400      0.7138000    
 C   -3.070900      -1.358100      -1.864900    
 C    3.028300      -1.671000      0.6351000    
 C    4.194800     -0.7408000      0.4245000    
 C   -3.850800       1.118900       1.134100    
 C    4.000100      0.7051000      0.2761000    
 C    3.419900       1.503800       1.239200    
 C   -5.912600       1.934700     -9.9500000E-02
 C   -1.831100       2.122400      0.8815000    
 C   -2.392100       3.025600     -0.1844000    
 C    4.125300       2.627900     -0.7710000    
 C    7.637500     -0.7937000      0.1437000    
 H  -3.0700000E-02 -0.9638000      0.9777000    
 H    1.128300      -3.522600     -0.3853000    
 H   -2.275000      -1.423000       2.545000    
 H   -3.153900      -2.952000       2.380900    
 H    2.307800      -1.016100      -1.186200    
 H   -5.098500      -2.374800       1.054200    
 H   -5.040300      -1.167100     -0.2190000    
 H   -3.005900      3.9799999E-02  -3.212300    
 H    3.031400       1.225400       2.208800    
 H   -4.209300       3.428800      -1.142100    
 H   -6.546300       1.890900      0.7922000    
 H   -6.124300       1.065500     -0.7303000    
 H   -6.215200       2.830300     -0.6541000    
 H    7.850700      -1.300700       1.089800    
 H    7.702500      -1.502900     -0.6874000    
 H    8.380700     -6.5000001E-03 -7.8999996E-03
 H    4.834700       3.300100      -2.608200    
 H    4.159200       4.532800      -1.608300    


%chk=000002657-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002657

0 1
S -0.965617 -3.454735 1.623159
S -5.217707 -0.267371 1.577407
S 2.653813 3.053086 -0.972153
O -0.058280 -2.536153 -2.824179
O -2.250659 -0.535211 -2.680464
O -4.272428 -1.653764 -2.465492
O 3.451829 -2.848949 0.745068
O 6.237763 0.278381 0.781983
O -0.368139 1.156178 1.068925
O -1.148924 3.925414 0.595372
N -1.138609 -1.973553 -0.698779
N 2.006187 -1.464874 -0.437056
N -4.339485 2.195134 0.759779
N 5.361757 -0.856726 0.735794
N -2.630705 0.619541 1.308793
N -3.336748 3.182330 0.627121
N 4.639333 1.292533 -1.426281
N 4.775840 3.237515 -2.810831
C -0.296770 -2.075844 0.518570
C 0.926674 -2.422160 -0.407415
C -0.087274 -2.345615 -1.600351
C -2.531140 -1.872925 -0.730427
C -3.278455 -2.146817 0.407635
C -2.669859 -2.623066 1.715250
C -4.737472 -1.849820 0.463370
C -3.130939 -1.386248 -2.014416
C 3.218380 -1.730473 0.202659
C 4.191508 -0.565960 0.186831
C -3.912015 0.943900 1.161041
C 3.825561 0.750003 -0.409936
C 2.723381 1.511184 -0.037577
C -5.706037 2.635707 0.424301
C -1.579001 1.508134 1.038284
C -1.948232 2.968377 0.735420
C 4.193100 2.469991 -1.829502
C 7.516573 -0.159533 1.378380
H -0.233198 -1.132658 1.080465
H 1.345286 -3.428839 -0.233041
H -2.578861 -1.757819 2.395863
H -3.329422 -3.372261 2.187557
H 1.846477 -0.532734 -0.830888
H -5.305481 -2.617103 1.014674
H -5.193582 -1.660280 -0.514756
H -2.605796 -0.329878 -3.586951
H 1.959475 1.327443 0.716387
H -3.664264 4.135552 0.441638
H -6.361226 1.752685 0.424772
H -5.712301 3.094401 -0.580792
H -6.078858 3.358895 1.172278
H 7.346868 -0.584300 2.382459
H 8.005038 -0.907298 0.730739
H 8.121609 0.758831 1.438091
H 5.624003 2.886917 -3.250206
H 4.392928 4.134634 -3.090970


