%chk=000152079.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152079

0 1
 S    3.985000      0.4926000     -0.1059000    
 S   -3.991400      0.4916000     -0.1406000    
 O    4.038000      0.2903000      -1.543600    
 O    4.053700       1.828200      0.4615000    
 O   -4.069700       1.857800      0.3479000    
 O   -4.040200      0.2064000      -1.564600    
 N    5.175300     -0.4805000      0.6311000    
 N   -5.178900     -0.4435000      0.6485000    
 C    6.486800     -0.4469000     -3.0600000E-02
 C    5.592500      -1.641800     -0.1662000    
 C   -6.488500     -0.4553000     -1.7600000E-02
 C   -5.587600      -1.651300     -8.1200004E-02
 C    2.529400     -0.2935000      0.5083000    
 C   -2.533800     -0.2488000      0.5214000    
 C    1.271800      0.3899000     -6.0999999E-03
 C   -1.253900      0.3846000     -5.7999999E-03
 C   1.1500000E-02 -0.2799000      0.5433000    
 H    6.578300      0.2485000     -0.8504000    
 H    7.300200     -0.4890000      0.6783000    
 H    5.793500      -2.505100      0.4516000    
 H    5.067800      -1.819900      -1.090500    
 H   -7.303800     -0.4605000      0.6903000    
 H   -6.581100      0.1908000     -0.8767000    
 H   -5.059200      -1.880100     -0.9921000    
 H   -5.786100      -2.478300      0.5852000    
 H    2.568700     -0.2525000       1.601700    
 H    2.553600      -1.339700      0.1873000    
 H   -2.558700      -1.312400      0.2619000    
 H   -2.581600     -0.1500000       1.610900    
 H    1.256400      0.3608000      -1.102400    
 H    1.277900       1.449000      0.2793000    
 H   -1.244700      0.3296000      -1.101600    
 H   -1.244600       1.451700      0.2489000    
 H   1.0800000E-02  -1.343000      0.2739000    
 H   1.0500000E-02 -0.2226000       1.638400    


%chk=000152079-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152079

0 1
S 4.099238 0.129617 -0.445765
S -4.098119 0.126796 -0.431783
O 4.161492 -0.405742 -1.986767
O 4.185788 1.732679 -0.145013
O -4.181397 1.730875 -0.135855
O -4.169048 -0.413585 -1.970688
N 5.457677 -0.815249 0.629937
N -5.451691 -0.812991 0.654245
C 6.691211 0.082963 0.793134
C 6.715530 -1.036919 -0.220402
C -6.684741 0.085687 0.818537
C -6.713224 -1.039089 -0.189450
C 2.535298 -0.591061 0.412814
C -2.530629 -0.592827 0.421260
C 1.278066 -0.023570 -0.247553
C -1.276033 -0.024412 -0.243261
C 0.002335 -0.594558 0.423210
H 6.600890 1.116510 0.435285
H 7.178576 -0.034384 1.765604
H 7.220751 -1.981177 0.003628
H 6.644590 -0.786393 -1.286248
H -7.167781 -0.027106 1.793705
H -6.596403 1.117544 0.455382
H -6.647039 -0.793671 -1.256801
H -7.217246 -1.982338 0.041413
H 2.670993 -0.295029 1.465249
H 2.662851 -1.678462 0.290477
H -2.657941 -1.680295 0.299234
H -2.662927 -0.297039 1.474194
H 1.277034 -0.276284 -1.324896
H 1.279871 1.079977 -0.165852
H -1.278309 -0.277043 -1.320627
H -1.278392 1.079119 -0.161471
H 0.002569 -1.700315 0.345722
H 0.004061 -0.345031 1.503205


