%chk=000002613.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002613

-1 1
 S   2.7200000E-02   1.658500      -2.241600    
 S    4.507200       1.381800      0.3772000    
 O  -0.6451000      -2.571000     -0.3853000    
 O   -3.577800       1.872900     -0.7729000    
 O    2.869000      -1.855800      0.7664000    
 O    2.665600      -2.545000      -1.405400    
 O   -4.899800       2.259700       1.613300    
 N   0.3971000     -0.4871000     -0.7290000    
 N   -2.667000     -8.1500001E-02  8.8100001E-02
 N    6.660300      0.2981000       1.641000    
 N    6.843400      0.2987000     -0.5198000    
 N    7.850800     -0.2633000       1.388100    
 N    7.957100     -0.2606000      6.4900003E-02
 C  -0.4302000      0.7035000     -0.7798000    
 C   -1.631000     -0.2572000     -0.9263000    
 C  -0.6050000      -1.381900     -0.5973000    
 C    1.754600     -0.4767000     -0.7717000    
 C    2.431400      0.6214000      -1.183400    
 C    1.746800       1.896500      -1.676000    
 C    3.936100      0.7362000      -1.203700    
 C   -3.566100      0.9858000      7.7799998E-02
 C    2.507500      -1.758200     -0.4355000    
 C   -4.562700      0.9354000       1.227400    
 C   -5.825900      0.2035000      0.8393000    
 C    6.098500      0.6155000      0.4764000    
 C   -6.879700      0.9144000      0.2882000    
 C   -5.906600      -1.164800       1.041500    
 C   -8.046100      0.2386000     -7.0400000E-02
 C   -7.073000      -1.840500      0.6828000    
 C   -8.142700      -1.138700      0.1269000    
 C    6.206200      0.4617000       2.998800    
 H  -0.4046000       1.268700      0.1604000    
 H   -2.056000     -0.3658000      -1.931300    
 H    1.758400       2.652500     -0.8835000    
 H    2.287500       2.304900      -2.536000    
 H   -2.755100     -0.7653000      0.8361000    
 H    4.384200     -0.2433000      -1.401500    
 H    4.279600       1.388800      -2.013500    
 H   -4.109500      0.4573000       2.104000    
 H   -4.095200       2.674300       1.968900    
 H   -6.824700       1.984300      0.1108000    
 H   -5.079400      -1.720500       1.473600    
 H   -8.877800      0.7842000     -0.5065000    
 H   -7.148300      -2.913100      0.8361000    
 H   -9.050500      -1.665100     -0.1532000    
 H    6.056200       1.527100       3.189800    
 H    5.271400     -9.0700001E-02   3.122100    
 H    6.959700      6.7299999E-02   3.685900    


%chk=000002613-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002613

-1 1
S 0.401273 3.055015 -1.880284
S 4.459543 1.193877 1.103241
O -1.261596 -1.351458 -1.881694
O -4.324553 2.463329 -1.866648
O 1.103597 -1.801620 0.460352
O 2.959005 -1.849957 -0.966254
O -6.478300 2.220455 -0.366658
N 0.167521 0.431761 -0.984729
N -2.958558 1.141247 -0.504647
N 5.856240 -1.245079 1.416370
N 7.207452 0.511481 1.130613
N 7.165399 -1.732985 1.487187
N 7.973792 -0.651384 1.315346
C -0.467840 1.753415 -0.817071
C -1.797479 1.149246 -1.380062
C -0.991892 -0.206730 -1.486453
C 1.539946 0.135017 -0.860545
C 2.451944 1.171804 -0.943679
C 2.110180 2.645102 -1.131420
C 3.910758 0.885787 -0.775370
C -4.125452 1.792100 -0.801962
C 1.890891 -1.321858 -0.440562
C -5.264092 1.744350 0.272823
C -5.458942 0.364311 0.887075
C 5.897409 0.119252 1.195236
C -6.286015 -0.593725 0.251931
C -4.780552 0.013957 2.081493
C -6.413907 -1.890418 0.794039
C -4.902384 -1.287837 2.619998
C -5.716843 -2.244885 1.974042
C 4.702262 -2.146522 1.549075
H -0.495281 2.101699 0.228153
H -2.091199 1.562758 -2.358959
H 2.180958 3.192458 -0.171481
H 2.826407 3.112259 -1.831513
H -2.943599 0.520187 0.310685
H 4.111827 -0.180119 -0.977263
H 4.559028 1.561552 -1.354267
H -4.956685 2.455996 1.072115
H -6.176383 2.633026 -1.231638
H -6.831499 -0.301621 -0.650856
H -4.168949 0.762081 2.603937
H -7.051410 -2.628748 0.294352
H -4.363350 -1.551933 3.536458
H -5.807329 -3.256502 2.385160
H 3.978179 -1.715867 2.260231
H 4.180345 -2.276901 0.576438
H 5.076134 -3.111872 1.919867


