%chk=000122901.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122901

0 1
 S    2.870800       3.092600     -0.3068000    
 O   -5.578800     -0.7674000       3.331400    
 O   -6.726100     -0.3599000      -1.345800    
 O   -2.223900      -2.037800      -2.717500    
 O    6.357300      -2.914600      0.9703000    
 O    4.183400      -3.144300       1.170900    
 N   -4.816200     -8.5000001E-02  0.7067000    
 N  -0.7495000     -0.3938000      -1.893400    
 N   0.3711000       1.733500     -0.3907000    
 N    1.205900       1.102600      0.3016000    
 N    4.514100       2.897400     -0.3656000    
 N    5.195700      -2.446800      0.9296000    
 C   -3.510700      0.3686000      0.4260000    
 C   -5.047100      -1.462500       1.094600    
 C   -5.946000      0.8164000      0.5976000    
 C   -2.768200     -0.2299000     -0.5918000    
 C   -2.962000       1.415500       1.166500    
 C   -1.476800      0.2186000     -0.8692000    
 C   -4.752300      -1.642300       2.574000    
 C   -6.382700      0.9291000     -0.8532000    
 C  -0.9281000       1.265500     -0.1285000    
 C   -1.670600       1.864100      0.8893000    
 C    3.674800      0.7900000      0.2185000    
 C    4.842300       1.632500     -6.9200002E-02
 C    2.492300       1.482300      0.1222000    
 C    3.708900     -0.5636000      0.5558000    
 C   -1.149000      -1.446700      -2.724800    
 C    5.020000      -1.073400      0.5975000    
 C    6.139600       1.073800     -1.3900000E-02
 C    6.180800     -0.2938000      0.3262000    
 C  -6.8800002E-02  -1.820600      -3.708600    
 H   -4.439900      -2.159700      0.5068000    
 H   -6.093700      -1.733100      0.9080000    
 H   -5.711800       1.810400      0.9948000    
 H   -6.785700      0.4366000       1.192400    
 H   -3.255600      -1.022600      -1.140200    
 H   -3.521900       1.886100       1.970500    
 H   -4.963200      -2.671800       2.879900    
 H   -3.706000      -1.415900       2.804100    
 H   -7.260300       1.578100     -0.9352000    
 H   -5.584600       1.338300      -1.481000    
 H   -1.251800       2.679400       1.473500    
 H   0.1850000     -1.8600000E-02  -2.042100    
 H   -5.365300     -0.9138000       4.268600    
 H   -7.002800     -0.2470000      -2.271100    
 H    2.821300      -1.149000      0.7601000    
 H    7.038200       1.643700     -0.2157000    
 H    7.173000     -0.7428000      0.3736000    
 H   0.8454000      -2.090700      -3.172400    
 H   0.1331000     -0.9758000      -4.373000    
 H  -0.3931000      -2.675800      -4.307900    


%chk=000122901-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122901

0 1
S 3.367035 -0.699052 -2.187926
O -6.679460 -2.350652 1.120627
O -6.539586 2.110534 1.298646
O -3.190493 -2.000776 -3.528387
O 6.739321 2.347499 3.588907
O 4.474469 2.230860 3.860632
N -4.741052 -0.165319 0.708391
N -1.195541 -1.296080 -2.514695
N 0.662415 -0.363583 -0.864108
N 1.628009 0.098620 -0.059419
N 5.131689 -0.388939 -1.922227
N 5.554232 2.025861 3.174709
C -3.406004 -0.211921 0.350449
C -5.816514 -0.555625 -0.233061
C -5.186561 0.266455 2.052304
C -3.011478 -0.743292 -0.922026
C -2.376386 0.276165 1.246591
C -1.660251 -0.781931 -1.290996
C -6.128574 -2.058621 -0.214205
C -5.399731 1.783376 2.169084
C -0.633197 -0.283266 -0.392618
C -1.038988 0.238674 0.877038
C 4.071142 0.434632 0.105528
C 5.270750 0.194660 -0.692840
C 2.889950 -0.000079 -0.562378
C 4.164939 1.039760 1.386515
C -1.930216 -1.864255 -3.558516
C 5.435215 1.393764 1.848848
C 6.558557 0.577824 -0.167646
C 6.636127 1.168953 1.084737
C -1.076584 -2.303744 -4.743536
H -5.549628 -0.246865 -1.258068
H -6.720495 0.006690 0.051584
H -4.465102 -0.068216 2.817231
H -6.137508 -0.249286 2.263202
H -3.733148 -1.146244 -1.630764
H -2.642461 0.694476 2.219888
H -6.872838 -2.274319 -1.009400
H -5.213979 -2.654192 -0.407111
H -5.624349 2.029815 3.228998
H -4.488474 2.333123 1.855364
H -0.258819 0.614041 1.545706
H -0.169608 -1.228472 -2.599844
H -6.870592 -3.317494 1.202105
H -6.690464 3.087883 1.288770
H 3.277386 1.226379 1.995442
H 7.449930 0.393160 -0.773093
H 7.591232 1.475013 1.518456
H -0.287213 -3.011495 -4.430582
H -0.582851 -1.435480 -5.217707
H -1.723758 -2.792918 -5.485199


