%chk=000004963.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004963

0 1
 S   -2.582400      -1.286300       1.017900    
 S   -3.847100      -1.726000     -0.5343000    
 O   0.7542000      -3.122300      -1.573400    
 O   0.5033000       2.352100      -2.448500    
 N  -8.8100001E-02   1.543200     -0.3282000    
 N    3.474400     -0.7344000       1.273600    
 N    4.210200      0.3047000     -0.7724000    
 N    1.523400      4.3600000E-02   2.374500    
 C   -1.020500      0.8435000      0.3988000    
 C    1.077500       2.064000      0.3708000    
 C   -1.327400     -0.4445000      0.1132000    
 C  -0.6711000      -1.236100      -1.006400    
 C    2.228800       1.100800      0.3386000    
 C   -1.649000       1.656800       1.498000    
 C   0.1177000      -2.442600     -0.4999000    
 C    2.441400      0.1331000       1.299100    
 C    3.154600       1.140400     -0.6841000    
 C  -0.2502000       1.749300      -1.691400    
 C   -4.922300     -0.2710000     -0.5612000    
 C   -5.993900     -0.3786000      0.5180000    
 C    4.308000     -0.5946000      0.2251000    
 C   -6.903800      0.8410000      0.5100000    
 C    5.462500      -1.536100      0.1622000    
 H    1.388000       2.988500     -0.1355000    
 H   0.8347000       2.386500       1.388000    
 H   -1.392100      -1.554600      -1.766500    
 H   4.8700001E-02 -0.6453000      -1.578300    
 H   -2.714700       1.440300       1.621200    
 H   -1.595400       2.730700       1.282100    
 H   -1.146800       1.476800       2.453400    
 H  -0.5362000      -3.164700     -1.2000001E-03
 H   0.8902000      -2.133500      0.2099000    
 H    3.085300       1.864300      -1.489400    
 H   -1.197800       1.330800      -2.072600    
 H   -4.332200      0.6458000     -0.4583000    
 H   -5.399700     -0.2334000      -1.546400    
 H   -5.541300     -0.4614000       1.512900    
 H   -6.605900      -1.275200      0.3608000    
 H    1.699000     -0.6993000       3.041300    
 H    1.125400      0.8957000       2.746300    
 H   -6.334400       1.756000      0.7017000    
 H   -7.410300      0.9463000     -0.4548000    
 H   -7.669100      0.7480000       1.286900    
 H    5.887000      -1.689200       1.159300    
 H    5.130700      -2.501500     -0.2311000    
 H    6.253000      -1.147500     -0.4875000    
 H    1.243600      -3.869400      -1.189000    


%chk=000004963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004963

0 1
S -2.806164 -1.421238 1.216736
S -4.337393 -2.063844 -0.378936
O 0.243712 -3.469859 -1.589607
O 0.519067 2.229352 -2.336833
N -0.105048 1.343550 -0.256378
N 3.851100 -0.621931 1.121017
N 4.612969 0.872215 -0.638945
N 1.712166 -0.501125 2.037914
C -1.104861 0.659187 0.524092
C 1.092019 1.969341 0.392321
C -1.495401 -0.624724 0.188168
C -0.904020 -1.487861 -0.907638
C 2.362348 1.142995 0.305132
C -1.681588 1.463902 1.677692
C -0.246749 -2.781156 -0.385493
C 2.634797 0.011377 1.144572
C 3.398630 1.503791 -0.578411
C -0.285131 1.571480 -1.625472
C -5.247542 -0.418330 -0.642179
C -6.109283 0.014034 0.552601
C 4.792229 -0.163710 0.241711
C -6.827480 1.356772 0.282419
C 6.127773 -0.864573 0.240343
H 1.266150 2.931908 -0.119963
H 0.835034 2.176327 1.446931
H -1.701220 -1.785032 -1.616872
H -0.140664 -0.935894 -1.480717
H -2.690161 1.092726 1.928440
H -1.741661 2.532448 1.406041
H -1.079772 1.388650 2.604796
H -0.990207 -3.400060 0.155775
H 0.589148 -2.531971 0.302129
H 3.250882 2.337256 -1.275227
H -1.233378 1.140063 -2.009839
H -4.490252 0.341736 -0.904263
H -5.863172 -0.613872 -1.541846
H -5.463320 0.105606 1.447396
H -6.850713 -0.776449 0.773994
H 2.014992 -1.287716 2.611053
H 0.722064 -0.274893 1.979995
H -6.102132 2.167487 0.081054
H -7.502805 1.283871 -0.590412
H -7.435734 1.656929 1.154541
H 6.586244 -0.822077 1.244545
H 6.002402 -1.933150 -0.010971
H 6.796821 -0.391607 -0.493158
H 0.735200 -4.287230 -1.325051


