%chk=000091672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091672

0 1
 S    2.671900       3.834800      -1.468700    
 O  -0.3745000     -0.4879000      -1.667300    
 O  -0.6065000       1.687300       1.633900    
 O   -1.091500      -4.474100     -0.3540000    
 O    1.003400      -5.065800     -0.9635000    
 N   -1.926000       1.240600     -0.2230000    
 N  -0.4933000      -1.970300      0.1162000    
 N   -1.834100       4.339800       1.149900    
 C   -3.414700     -0.6947000     -0.5929000    
 C   -2.102400     -0.1704000      4.0000002E-03
 C   -4.688600     -1.1700000E-02 -5.4800000E-02
 C  -0.9122000     -0.8801000     -0.6338000    
 C   -4.783700     -0.2167000       1.459700    
 C   -5.958700     -0.5359000     -0.7262000    
 C   0.6458000      -2.785800     -0.2389000    
 C   -1.172800       3.515300      0.1406000    
 C   -1.185300       2.065600      0.6173000    
 C    1.694100      -2.789400      0.8814000    
 C   0.2539000       4.009300     -0.1561000    
 C    2.532900      -1.534300      0.9072000    
 C   0.9986000       3.175900      -1.202600    
 C   0.2216000      -4.211900     -0.5582000    
 C    3.716600      -1.471400      0.1718000    
 C    2.124100     -0.4375000       1.665900    
 C    4.491600     -0.3120000      0.1953000    
 C    2.899200      0.7221000       1.689300    
 C    4.082900      0.7848000      0.9539000    
 C    3.208000       2.674700      -2.746400    
 H   -2.072100     -0.3485000       1.084500    
 H   -3.480000      -1.777900     -0.4232000    
 H   -3.388900     -0.5659000      -1.683900    
 H   -4.633400       1.065500     -0.2544000    
 H   -2.308500       1.626500      -1.081200    
 H   -4.730700      -1.278300       1.724200    
 H   -5.731800      0.1766000       1.843100    
 H   -3.986500      0.3121000       1.990500    
 H   -6.088800      -1.608300     -0.5453000    
 H   -6.845100     -1.6500000E-02 -0.3472000    
 H   -5.915100     -0.3784000      -1.808900    
 H    1.078600      -2.394300      -1.167800    
 H   -1.753200       3.605300     -0.7857000    
 H   -1.029700      -2.244700      0.9342000    
 H    2.371100      -3.647500      0.7735000    
 H    1.213100      -2.930100       1.859100    
 H   0.2015000       5.053800     -0.4920000    
 H   0.8315000       4.005800      0.7789000    
 H   0.4506000       3.194800      -2.150200    
 H    1.088800       2.136300     -0.8734000    
 H   -2.812000       4.063200       1.230300    
 H   -1.837600       5.313400      0.8485000    
 H    4.044000      -2.318200     -0.4255000    
 H    1.205500     -0.4753000       2.244800    
 H    5.412300     -0.2621000     -0.3787000    
 H    2.580000       1.576900       2.278300    
 H   -1.317800      -5.404000     -0.5694000    
 H    4.685400       1.688200      0.9710000    
 H    3.180500       1.649800      -2.367300    
 H    2.568600       2.757700      -3.629100    
 H    4.235100       2.909200      -3.038100    


%chk=000091672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091672

0 1
S 2.788938 3.886049 -1.082924
O -0.076088 -0.512454 -1.687439
O -1.992667 2.262316 1.583849
O -1.140460 -4.675691 0.062637
O 0.591757 -5.313120 -1.353768
N -1.723671 1.318634 -0.525716
N -0.481557 -2.090592 -0.016893
N -2.240283 4.745614 0.426156
C -3.258326 -0.673647 -0.500361
C -1.885963 -0.067547 -0.073292
C -4.492691 0.031622 0.120053
C -0.727174 -0.897972 -0.666548
C -4.536119 -0.117619 1.659690
C -5.783901 -0.524425 -0.526205
C 0.565891 -3.019839 -0.437315
C -1.397827 3.763338 -0.268940
C -1.732400 2.387080 0.342748
C 1.747808 -3.105091 0.602786
C 0.140499 4.060514 -0.148468
C 2.442976 -1.767376 0.781766
C 1.022532 3.190806 -1.060555
C 0.035022 -4.432862 -0.668501
C 3.539500 -1.411383 -0.044124
C 1.987829 -0.833933 1.747727
C 4.158740 -0.148533 0.084379
C 2.598851 0.434005 1.872665
C 3.685341 0.783419 1.038097
C 3.510426 2.740987 -2.392018
H -1.815314 -0.050117 1.030244
H -3.279337 -1.748049 -0.221132
H -3.323692 -0.631683 -1.606641
H -4.422939 1.112323 -0.118264
H -1.383455 1.436062 -1.485694
H -4.525643 -1.186659 1.953376
H -5.462382 0.330389 2.064204
H -3.687343 0.399166 2.141203
H -5.899640 -1.605097 -0.311960
H -6.676239 -0.006510 -0.129434
H -5.776892 -0.394792 -1.624875
H 0.967110 -2.643204 -1.394642
H -1.654014 3.750169 -1.349385
H -1.078939 -2.371386 0.763477
H 2.454557 -3.869996 0.231925
H 1.335073 -3.467304 1.563954
H 0.281910 5.125296 -0.423334
H 0.443215 3.950697 0.910308
H 0.653469 3.213684 -2.104081
H 1.075999 2.142209 -0.722536
H -2.399385 4.489904 1.407834
H -1.958096 5.719952 0.291882
H 3.908951 -2.125880 -0.790750
H 1.152927 -1.098909 2.408469
H 5.010844 0.109009 -0.555170
H 2.228351 1.147420 2.617154
H -1.430309 -5.617743 -0.074587
H 4.146068 1.773061 1.120202
H 3.425398 1.692655 -2.064468
H 2.987017 2.884231 -3.351159
H 4.571447 3.014202 -2.506007


