%chk=000152690.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152690

0 1
 S   -4.289600       1.289500     -0.5221000    
 S    3.783600       1.431400      0.7205000    
 O   -2.843200       1.772200      6.4999998E-02
 O    2.259500       1.455100      0.1315000    
 O   -4.191100       1.140700      -1.961000    
 O   -5.315700       2.115700      8.5600004E-02
 O    3.744400       1.059500       2.121300    
 O    4.452100       2.639800      0.2760000    
 O   -3.031600      -1.365300      -2.528800    
 O    3.543300      -1.746500       2.301700    
 O   -1.548500     -0.9347000     -0.9688000    
 O    2.003100      -1.649000      0.7405000    
 N   -2.714600      -1.227000      -1.324000    
 N    3.197300      -1.562000       1.111000    
 C   -1.011800       3.279900      0.3921000    
 C   1.4000000E-02   2.258100     -8.5500002E-02
 C   -2.366100       3.068300     -0.2693000    
 C    1.356300       2.443000      0.6078000    
 C   -4.492600     -0.3415000      0.1215000    
 C    4.548500      8.0200002E-02 -0.1191000    
 C   -3.712100      -1.407500     -0.3259000    
 C    4.194100      -1.242400      0.1476000    
 C   -5.463000     -0.5509000       1.101500    
 C    5.529900      0.3611000      -1.069700    
 C   -3.901900      -2.682700      0.2067000    
 C    4.821200      -2.283800     -0.5364000    
 C   -5.652700      -1.826000       1.634200    
 C    6.156900     -0.6804000      -1.753700    
 C   -4.872200      -2.891800       1.186800    
 C    5.802600      -2.002800      -1.487000    
 H   -1.125100       3.187700       1.479300    
 H  -0.6573000       4.294900      0.1799000    
 H   0.1489000       2.330400      -1.171800    
 H  -0.3364000       1.238000      0.1072000    
 H   -2.280800       3.158200      -1.357800    
 H   -3.076000       3.820400      9.0999998E-02
 H    1.761600       3.437800      0.3929000    
 H    1.244000       2.334900       1.692200    
 H   -6.086700      0.2554000       1.475200    
 H    5.829000       1.378000      -1.304700    
 H   -3.301500      -3.523700     -0.1316000    
 H    4.556000      -3.319900     -0.3399000    
 H   -6.407600      -1.989300       2.397900    
 H    6.920700     -0.4621000      -2.494400    
 H   -5.019900      -3.884600       1.601700    
 H    6.290700      -2.813700      -2.019700    


%chk=000152690-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152690

0 1
S -4.196467 1.124049 -0.484573
S 3.599718 1.347095 1.003816
O -2.837700 2.091823 0.327916
O 2.421100 2.281456 -0.082567
O -4.197685 1.279966 -2.092058
O -5.574726 1.464605 0.295581
O 2.959097 1.036613 2.456442
O 5.036836 2.085169 0.921213
O -0.618802 -1.745988 -1.553333
O 1.100205 -2.497337 0.900026
O -1.625359 0.294788 -1.626426
O 0.987727 -0.223046 0.825846
N -1.525480 -0.905667 -1.177990
N 1.578457 -1.339685 0.587955
C -1.087410 3.719575 0.249868
C 0.083135 2.852539 -0.272369
C -2.436276 3.334591 -0.383822
C 1.315193 2.970421 0.634326
C -3.650373 -0.601115 0.202092
C 3.776132 -0.225278 -0.083454
C -2.511120 -1.353865 -0.163431
C 2.875770 -1.311512 -0.130323
C -4.546369 -1.082063 1.169489
C 4.973588 -0.252975 -0.815804
C -2.261301 -2.594248 0.467186
C 3.181093 -2.439908 -0.924661
C -4.297620 -2.327127 1.792609
C 5.267754 -1.374335 -1.625069
C -3.153401 -3.076959 1.444657
C 4.371737 -2.464855 -1.677724
H -1.187334 3.628726 1.349267
H -0.903505 4.791232 0.033876
H 0.350245 3.165330 -1.299240
H -0.221938 1.795166 -0.321619
H -2.339115 3.131723 -1.467427
H -3.201434 4.114495 -0.211963
H 1.618762 4.021645 0.802860
H 1.133883 2.475476 1.609021
H -5.421114 -0.475518 1.428264
H 5.664825 0.592568 -0.732624
H -1.358066 -3.142140 0.188246
H 2.468579 -3.268569 -0.944696
H -4.994813 -2.697310 2.550559
H 6.195561 -1.390865 -2.204907
H -2.949267 -4.032763 1.936416
H 4.596979 -3.333322 -2.304049


