%chk=000133532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133532

1 1
 S   0.1549000       2.675900      -1.467600    
 S   -3.648800     -0.2255000      -1.015000    
 S   -6.258000      -1.666400      -1.634900    
 S   -9.236100      -1.763400      -1.011600    
 O    1.934600      0.1500000       2.005900    
 O   -1.693700      0.3713000       2.989700    
 O   -1.158800      -1.286000       1.507400    
 O   -12.49260     -0.1270000      0.3498000    
 O   -12.00450      -2.293900     -0.1317000    
 N   0.3173000       1.444300      0.8789000    
 N    2.908100       1.737400     -0.6668000    
 N    6.921500      0.7212000     -0.6256000    
 N   -6.078700      0.2945000      4.6000001E-03
 N   -7.413100     -7.2600000E-02  5.9000002E-03
 C   0.7361000       2.680400      0.2437000    
 C    2.184300       2.197600      0.4781000    
 C    1.535700       1.059900       1.317200    
 C  -0.9672000       1.004300      0.9005000    
 C   -1.909500       1.532400      8.3600000E-02
 C   -1.603000       2.577000     -0.9873000    
 C    4.258600       1.395600     -0.6534000    
 C   -3.371500       1.156200      0.1056000    
 C   -1.273700     -0.1140000       1.804700    
 C    5.006600       1.489700      0.5265000    
 C    4.894700      0.9510000      -1.818800    
 C    6.349900       1.142300      0.5109000    
 C    6.240900      0.6174000      -1.775200    
 C    8.336700      0.3624000     -0.6101000    
 C   -5.389700     -0.4596000     -0.8053000    
 C    8.525600      -1.093900     -0.2842000    
 C    8.556000      -2.027300      -1.311800    
 C    8.666900      -1.486500       1.040100    
 C    8.730700      -3.377900      -1.009700    
 C    8.841900      -2.837000       1.342400    
 C   -7.641800      -1.082500     -0.8062000    
 C    8.873700      -3.782600      0.3175000    
 C   -10.19770     -0.7176000      0.1143000    
 C   -11.63640      -1.146900      8.7800004E-02
 H   0.4640000       3.570500      0.8234000    
 H    2.746800       2.926200       1.072500    
 H    2.391000       1.559300      -1.520800    
 H   -1.929300       3.562000     -0.6357000    
 H   -2.154700       2.353600      -1.906100    
 H   -3.681200      0.8751000       1.117900    
 H   -3.987300       2.016300     -0.1822000    
 H    4.577900       1.816800       1.467600    
 H    4.348400      0.8652000      -2.753700    
 H    6.969800       1.198100       1.397700    
 H    6.777100      0.2710000      -2.650500    
 H   -1.911100     -0.3437000       3.625300    
 H    8.854000       1.002100      0.1163000    
 H    8.773000      0.6105000      -1.586100    
 H    8.448200      -1.724200      -2.349300    
 H    8.646200     -0.7595000       1.847000    
 H    8.756200      -4.114100      -1.807700    
 H    8.953700      -3.152300       2.375700    
 H    9.010000      -4.834100      0.5528000    
 H   -9.828800     -0.8023000       1.140500    
 H   -10.12910      0.3216000     -0.2226000    
 H   -13.42810     -0.4219000      0.3363000    


%chk=000133532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133532

1 1
S -1.003032 2.232260 0.028095
S -3.930345 -0.522622 3.337450
S -5.815539 -2.289528 1.551980
S -7.243488 -2.464773 -1.237686
O 2.041260 0.889170 3.252607
O 0.100457 1.903274 5.292527
O -1.869440 0.666620 5.346347
O -8.181515 -0.732313 -4.759504
O -8.678928 -2.798140 -3.802978
N 0.034967 2.158037 2.623469
N 2.034603 1.757948 0.111448
N 5.944198 0.504096 -0.777460
N -4.860464 0.082743 0.768134
N -5.652437 -0.364776 -0.314548
C 0.131151 2.940322 1.367005
C 1.644078 2.539443 1.278060
C 1.371171 1.689991 2.585721
C -1.156791 1.758674 3.275509
C -2.359494 1.759462 2.595174
C -2.533553 2.186305 1.149808
C 3.309564 1.348229 -0.154060
C -3.664156 1.386481 3.258429
C -1.044527 1.366003 4.711572
C 4.414935 1.634261 0.719028
C 3.599199 0.595704 -1.344208
C 5.692835 1.212167 0.380209
C 4.896097 0.194464 -1.622955
C 7.364190 0.109701 -1.141234
C -4.833006 -0.764165 1.796300
C 7.459585 -1.276804 -1.749907
C 7.837809 -1.429775 -3.107026
C 7.193377 -2.428908 -0.965123
C 7.948651 -2.719436 -3.675820
C 7.297956 -3.715399 -1.534554
C -6.201544 -1.559034 -0.091882
C 7.675691 -3.862644 -2.891233
C -7.274091 -1.152398 -2.602806
C -8.117376 -1.686565 -3.744252
H -0.080361 4.011806 1.492564
H 2.328267 3.390667 1.430185
H 1.259881 1.379541 -0.450282
H -2.981890 3.196887 1.112503
H -3.247923 1.494557 0.656676
H -3.714545 1.672621 4.317698
H -4.528791 1.780911 2.702962
H 4.268587 2.132269 1.678670
H 2.804042 0.330143 -2.046263
H 6.550247 1.409636 1.027510
H 5.148678 -0.387700 -2.511234
H 0.184031 1.585296 6.231775
H 7.947305 0.180019 -0.206504
H 7.748614 0.871186 -1.843474
H 8.062800 -0.545684 -3.716865
H 6.912914 -2.323746 0.090566
H 8.250875 -2.830622 -4.722052
H 7.096828 -4.601158 -0.923324
H 7.764135 -4.862118 -3.329435
H -7.696300 -0.218421 -2.200301
H -6.244344 -0.945032 -2.933152
H -8.738494 -1.072734 -5.511657


