%chk=000102520.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102520

0 1
 S   -4.683900     -0.2140000      0.8664000    
 S   -5.522700      -1.842100     -0.1502000    
 O   -6.871000      -2.190200      0.6970000    
 O   -5.928000      -1.372800      -1.461300    
 O   -4.607500      -2.958400     -1.1000000E-02
 N   -1.241300       1.573400     -0.3148000    
 C    1.651600       1.303600      0.2786000    
 C   0.9760000       2.592900     -0.2022000    
 C    3.123700       1.200500     -0.1342000    
 C  -0.4934000       2.705000      0.2393000    
 C    3.780700     -0.1186000      0.2814000    
 C    5.226000     -0.1955000     -0.2181000    
 C    5.924200      -1.511000      0.1388000    
 C   -1.155700       4.001500     -0.2225000    
 C   -2.430300       1.307400      0.4780000    
 C    7.389600      -1.558500     -0.2956000    
 C   -3.194300      0.1297000     -0.1143000    
 C    8.056300      -2.853000      0.1447000    
 H    1.042800       2.651100      -1.296700    
 H    1.532200       3.454000      0.1896000    
 H    1.581800       1.242700       1.371700    
 H    1.120500      0.4322000     -0.1223000    
 H    3.680100       2.038400      0.3037000    
 H    3.193800       1.308900      -1.223800    
 H  -0.5030000       2.676000       1.337000    
 H    3.759600     -0.2132000       1.373500    
 H    3.208200     -0.9593000     -0.1285000    
 H    5.243100     -6.9100000E-02  -1.307700    
 H    5.796200      0.6402000      0.2064000    
 H    5.866600      -1.658800       1.224600    
 H    5.380100      -2.344400     -0.3227000    
 H   -1.488000       1.747000      -1.288300    
 H   -1.205900       4.062900      -1.315700    
 H   -2.168700       4.119600      0.1732000    
 H  -0.5752000       4.863600      0.1251000    
 H   -2.140700       1.068500       1.509300    
 H   -3.090400       2.181400      0.5054000    
 H    7.456200      -1.466400      -1.385700    
 H    7.932900     -0.7101000      0.1364000    
 H   -2.568000     -0.7689000     -0.1262000    
 H   -3.498500      0.3454000      -1.144200    
 H    8.035400      -2.954600       1.234500    
 H    7.552800      -3.721600     -0.2917000    
 H    9.102100      -2.868900     -0.1777000    
 H   -7.401900      -2.946700      0.3534000    


%chk=000102520-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102520

0 1
S -3.749122 -1.478319 -1.324113
S -3.889117 -1.040961 1.163046
O -4.878680 0.583649 1.196929
O -4.756588 -2.139686 1.973654
O -2.402054 -0.668072 1.701538
N -1.492650 2.006696 -1.011546
C 1.196908 0.990687 0.117802
C 0.521448 2.346223 0.415537
C 2.738079 1.043585 0.215625
C -1.027064 2.299492 0.359888
C 3.409529 -0.317411 -0.074968
C 4.950994 -0.277716 0.030740
C 5.617857 -1.642085 -0.254646
C -1.657186 3.615049 0.893931
C -2.685476 1.218716 -1.258999
C 7.159703 -1.605992 -0.146155
C -2.313461 -0.292201 -1.485578
C 7.816361 -2.973767 -0.432654
H 0.889531 3.118693 -0.294891
H 0.816742 2.691555 1.426375
H 0.808922 0.230583 0.827519
H 0.901657 0.649571 -0.895258
H 3.031001 1.386571 1.230191
H 3.128239 1.804288 -0.493415
H -1.376661 1.460703 0.992315
H 3.013737 -1.077153 0.630874
H 3.121362 -0.659293 -1.091293
H 5.348758 0.479723 -0.677250
H 5.239351 0.065650 1.046473
H 5.219883 -2.399969 0.452345
H 5.331806 -1.986353 -1.270782
H -1.121349 2.591467 -1.763372
H -1.309000 4.486115 0.306670
H -2.759520 3.571292 0.835156
H -1.376250 3.777283 1.950910
H -3.373310 1.300224 -0.395081
H -3.234842 1.586477 -2.144974
H 7.556658 -0.848336 -0.852707
H 7.444573 -1.262303 0.869332
H -1.509910 -0.609547 -0.797717
H -1.961060 -0.426333 -2.524989
H 7.460369 -3.740983 0.280740
H 7.569465 -3.325497 -1.452340
H 8.917722 -2.921097 -0.350612
H -5.493257 0.538579 1.988350


