%chk=000025690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025690

0 1
 S   -2.379100      -2.453000      -1.319600    
 O    5.673000      0.7280000      -1.832800    
 O    2.373500     -0.1172000       2.883100    
 N   -2.127400      0.1668000      0.3354000    
 N    4.133400     -0.7695000      3.4899998E-02
 N  -0.8826000       3.687100      0.1208000    
 C   -1.035800       2.289400     -0.2876000    
 C   -1.930600       1.568800      0.7260000    
 C  -0.9903000     -0.6801000      0.3479000    
 C   -3.450200     -0.2486000      3.8899999E-02
 C    4.104100      0.6996000      1.7300000E-02
 C    5.432600      -1.253000     -0.4529000    
 C    3.861500      -1.277900       1.377800    
 C  -0.9909000      -1.906700     -0.3453000    
 C   -1.616600       2.252000      -1.701200    
 C   0.1748000     -0.3571000       1.077500    
 C    1.291200      -1.197500       1.099600    
 C    4.402100       1.206300      -1.390900    
 C    5.700100     -0.6997000      -1.849700    
 C   -3.694600      -1.432500     -0.6849000    
 C    2.475200     -0.8160000       1.853500    
 C   0.1371000      -2.746300     -0.3236000    
 C    1.273500      -2.391800      0.3955000    
 C   -4.578500      0.4766000      0.4808000    
 C  -0.3838000       3.765300       1.492800    
 C   1.7700000E-02   4.388900     -0.7925000    
 C   -5.008800      -1.843700     -0.9699000    
 C   -5.882700      6.0699999E-02  0.1991000    
 C   -6.097900      -1.098900     -0.5301000    
 H  -4.7800001E-02   1.817200     -0.3344000    
 H   -1.562700       1.580000       1.756200    
 H   -2.848100       2.159200      0.7634000    
 H    3.124300       1.092800      0.3078000    
 H    4.851200       1.103200      0.7134000    
 H    6.235500     -0.9357000      0.2252000    
 H    5.437800      -2.348100     -0.4971000    
 H    3.905200      -2.371500       1.423900    
 H    4.603600     -0.9079000       2.097900    
 H   -2.539600       2.838800      -1.775200    
 H  -0.9121000       2.616400      -2.455500    
 H   -1.856500       1.229500      -2.010300    
 H   0.2323000      0.5583000       1.659400    
 H    3.626700      0.8999000      -2.103700    
 H    4.439900       2.300400      -1.393200    
 H    6.693500      -1.009600      -2.189500    
 H    4.969400      -1.071000      -2.578700    
 H   0.1401000      -3.689500     -0.8664000    
 H    2.112500      -3.079700      0.3934000    
 H   -4.507000       1.354700       1.113700    
 H   -1.158900       3.531000       2.228800    
 H   0.4934000       3.130200       1.661900    
 H  -8.9699998E-02   4.794500       1.734300    
 H   0.2335000       5.397000     -0.4173000    
 H   0.9766000       3.872600     -0.9183000    
 H  -0.4358000       4.553800      -1.774600    
 H   -5.198000      -2.752100      -1.538500    
 H   -6.727000      0.6384000      0.5641000    
 H   -7.109000      -1.427100     -0.7505000    


%chk=000025690-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025690

0 1
S -2.290063 -1.760013 -2.106975
O 6.594601 -0.790285 -1.786862
O 2.326870 0.824376 2.226006
N -2.286624 0.402708 0.071510
N 4.440396 -1.074240 0.140187
N -1.309678 4.040216 0.557366
C -1.487177 2.787453 -0.240730
C -2.283288 1.772990 0.639439
C -1.046835 -0.293507 -0.050476
C -3.517074 -0.321979 -0.012354
C 4.777189 0.250257 -0.450470
C 5.653760 -1.933972 0.205858
C 3.785826 -0.951647 1.465924
C -0.906124 -1.369327 -0.978077
C -2.252622 3.002138 -1.561105
C 0.080624 0.052511 0.727999
C 1.321300 -0.623985 0.584623
C 5.389109 0.054200 -1.845812
C 6.253724 -2.096221 -1.200441
C -3.665084 -1.386118 -0.944662
C 2.454910 -0.172647 1.448751
C 0.310079 -2.072611 -1.101350
C 1.433566 -1.699673 -0.336224
C -4.620842 -0.029337 0.835494
C -0.241881 3.907495 1.578975
C -1.100549 5.272711 -0.234931
C -4.860235 -2.124595 -1.036920
C -5.833769 -0.741939 0.718102
C -5.963126 -1.792137 -0.217072
H -0.489449 2.348983 -0.492130
H -1.913888 1.778149 1.682855
H -3.321496 2.137435 0.665233
H 3.855479 0.855096 -0.537208
H 5.495302 0.810909 0.197552
H 6.426894 -1.496240 0.885584
H 5.370716 -2.927093 0.605162
H 3.583376 -1.976299 1.839262
H 4.433156 -0.436667 2.215031
H -3.214298 3.517613 -1.380142
H -1.669477 3.586678 -2.292666
H -2.469425 2.018594 -2.013640
H 0.037416 0.857271 1.466289
H 4.637191 -0.412594 -2.518209
H 5.722722 1.014460 -2.271837
H 7.199697 -2.661392 -1.165744
H 5.527237 -2.623811 -1.856301
H 0.376780 -2.898898 -1.816761
H 2.399402 -2.192788 -0.474305
H -4.530256 0.745258 1.602302
H -0.441293 3.064121 2.260578
H 0.771088 3.746636 1.133573
H -0.207330 4.824582 2.193087
H -1.043717 6.130468 0.459468
H -0.159545 5.263321 -0.841234
H -1.947817 5.451172 -0.914793
H -4.930846 -2.946365 -1.757458
H -6.671483 -0.484177 1.375086
H -6.899820 -2.351543 -0.304306


