%chk=000177994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177994

0 1
 S    2.701800     -0.9584000       1.514000    
 O   -2.003700       1.870200      0.2399000    
 O  -0.3329000       4.280700      -1.913500    
 O  -0.9200000     -0.8967000      -1.131400    
 O  -0.2604000      -1.875300      0.8606000    
 O    3.702800      -3.438600      -1.912200    
 O   -2.848300      -2.144900     -0.4261000    
 O   -4.022000     -0.3855000      -1.332900    
 N   0.2253000       1.397200     -0.3688000    
 N    4.827100      -3.116300      0.1175000    
 C    1.252100       2.438200     -0.1589000    
 C   6.9399998E-02   3.364500      0.2664000    
 C    2.301700       1.748500      0.7381000    
 C  -0.8405000       2.138100      3.9799999E-02
 C    1.815500      0.3099000      0.7670000    
 C   0.6304000      0.2028000      0.1508000    
 C  -0.3262000       4.589400     -0.5188000    
 C    2.465600       2.381800       2.110000    
 C   0.6411000       5.742600     -0.2719000    
 C  -0.2206000     -0.9837000      2.8000001E-02
 C    4.242600     -0.8978000      0.5287000    
 C    5.198300      -2.004000      0.9513000    
 C    3.955200      -1.223000     -0.9395000    
 C    4.107700      -2.725900      -1.006900    
 C   -1.815100      -1.985800      -1.412100    
 C   -4.907400      -1.560400      0.6182000    
 C   -3.899900      -1.275700     -0.5000000    
 C   -6.090800     -0.5912000      0.4939000    
 C   -4.223100      -1.399100       1.982000    
 C   -5.425700      -3.001600      0.4870000    
 H    1.702000       2.731200      -1.118500    
 H   9.4599999E-02   3.614600       1.337100    
 H    3.266600       1.796900      0.2184000    
 H   -1.335500       4.916300     -0.2430000    
 H    1.554900       2.285200       2.711200    
 H    3.284900       1.916100       2.667400    
 H    2.688700       3.449800       2.015100    
 H   0.6652000       6.021300      0.7861000    
 H   0.3522000       6.618000     -0.8629000    
 H    1.657500       5.472500     -0.5793000    
 H    4.704600      8.4799998E-02  0.6594000    
 H   -1.060800       3.656800      -2.074800    
 H    5.144700      -2.287700       2.006100    
 H    6.234200      -1.747900      0.7038000    
 H    4.729200     -0.7877000      -1.582300    
 H    2.977800     -0.9164000      -1.316100    
 H    5.105800      -4.075600      0.2974000    
 H   -2.253100      -1.827200      -2.404000    
 H   -1.242400      -2.918900      -1.459700    
 H   -6.591400     -0.6943000     -0.4758000    
 H   -5.760500      0.4503000      0.5837000    
 H   -6.836200     -0.7723000       1.276400    
 H   -4.934800      -1.544200       2.802300    
 H   -3.789700     -0.3974000       2.084800    
 H   -3.408300      -2.119300       2.117400    
 H   -6.194100      -3.216900       1.238000    
 H   -4.622300      -3.735900      0.6155000    
 H   -5.863900      -3.171900     -0.5033000    


%chk=000177994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177994

0 1
S 2.831628 -1.568507 0.769604
O -2.183383 1.697912 0.592209
O -0.409972 4.001364 -1.909637
O -1.416310 -1.247630 -1.118071
O 0.112081 -2.645772 0.007606
O 6.116963 -1.843963 -2.508860
O -3.385085 -2.244049 -0.238604
O -4.664369 -0.911787 -1.671537
N -0.021088 1.042634 -0.360735
N 6.053468 -2.438601 -0.224197
C 1.083684 2.062479 -0.240904
C 0.026928 3.064117 0.353653
C 2.181221 1.319311 0.591714
C -0.997729 1.879293 0.259689
C 1.798347 -0.162402 0.339557
C 0.497092 -0.267244 -0.128840
C -0.281501 4.328434 -0.478075
C 2.188761 1.625217 2.112423
C 0.831780 5.378143 -0.389381
C -0.250239 -1.504031 -0.372585
C 4.589079 -0.795954 0.664023
C 5.586319 -1.924817 1.069399
C 4.981648 -0.418050 -0.781549
C 5.772934 -1.629434 -1.318278
C -2.366907 -2.358451 -1.272504
C -5.382568 -1.210912 0.701529
C -4.495440 -1.393936 -0.535379
C -6.550506 -0.263636 0.337659
C -4.520700 -0.594444 1.843836
C -5.929029 -2.601557 1.141811
H 1.455786 2.370390 -1.231666
H 0.198990 3.341053 1.408629
H 3.176728 1.552060 0.173924
H -1.236039 4.755934 -0.101013
H 1.202014 1.422697 2.565398
H 2.926451 0.996282 2.641529
H 2.449023 2.684363 2.291402
H 0.961091 5.728978 0.650210
H 0.580776 6.242779 -1.026005
H 1.789367 4.959561 -0.747445
H 4.624477 0.045780 1.371338
H -1.168274 3.375832 -2.044468
H 5.103360 -2.714470 1.673838
H 6.418373 -1.501527 1.668072
H 5.642132 0.470397 -0.805499
H 4.123143 -0.216706 -1.441970
H 6.585399 -3.303123 -0.325932
H -2.802695 -2.227228 -2.273804
H -1.866708 -3.323353 -1.105127
H -7.148271 -0.665299 -0.499075
H -6.176171 0.730175 0.037378
H -7.209890 -0.140801 1.215855
H -5.172598 -0.388737 2.713024
H -4.043804 0.348457 1.524667
H -3.725314 -1.292423 2.155303
H -6.554247 -2.474250 2.044577
H -5.104579 -3.294452 1.379502
H -6.555728 -3.055895 0.352381


