%chk=000149545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149545

0 1
 S   -5.489900      0.1474000      0.6582000    
 O   -6.410900     -0.3877000     -0.3350000    
 O   -5.528600     -0.3543000       2.024800    
 N   5.2600000E-02 -0.4396000      -1.414200    
 N    3.647900     -0.2517000      0.7319000    
 N    3.646800       4.546900      0.5088000    
 N   -5.645400       1.848500      0.6942000    
 C    1.271300     -0.3760000     -0.6858000    
 C    1.843900      0.8676000     -0.4003000    
 C    1.888100      -1.557400     -0.2619000    
 C    3.049600      0.8831000      0.3211000    
 C    3.092000      -1.447000      0.4542000    
 C   -1.234000     -0.3041000     -0.9333000    
 C    1.245900       2.070600     -0.8142000    
 C    1.335100      -2.820700     -0.5350000    
 C    3.624700       2.118200      0.6085000    
 C    3.711000      -2.619600      0.8790000    
 C    3.033000       3.315600      0.1989000    
 C    1.841100       3.292300     -0.5140000    
 C   -2.336800     -0.2471000      -1.810400    
 C   -1.487900     -0.2172000      0.4513000    
 C   -3.862500     -2.5200000E-02  4.9899999E-02
 C    1.973800      -3.977700     -9.9200003E-02
 C    3.164200      -3.876600      0.6092000    
 C   -3.636900     -0.1089000      -1.324200    
 C   -2.788000     -7.9200000E-02  0.9375000    
 H   0.1655000     -0.5885000      -2.410600    
 H   0.3193000       2.091300      -1.381400    
 H   0.4069000      -2.934700      -1.089100    
 H    4.559800       2.149000       1.167000    
 H    4.644900      -2.566800       1.435800    
 H    1.368200       4.213800     -0.8424000    
 H   -2.179300     -0.3090000      -2.885200    
 H  -0.6772000     -0.2575000       1.174900    
 H    1.545100      -4.952100     -0.3119000    
 H    3.670800      -4.773300      0.9538000    
 H   -4.458000     -6.2199999E-02  -2.033900    
 H   -2.940200     -9.9999998E-03   2.011000    
 H    4.513900       4.563800       1.029100    
 H    3.218600       5.414300      0.2139000    
 H   -6.265900       2.285400      1.6000000E-03
 H   -5.661100       2.306500       1.613600    


%chk=000149545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149545

0 1
S -5.577111 0.766414 0.648411
O -6.652919 -0.091122 -0.226879
O -5.570701 0.806849 2.278208
N -0.033574 -0.827205 -1.232845
N 3.842224 -0.313546 0.587806
N 3.257693 4.488865 0.835035
N -5.770907 2.525500 0.097254
C 1.228507 -0.634525 -0.597032
C 1.713382 0.663952 -0.269991
C 2.055067 -1.778018 -0.350137
C 3.031312 0.772244 0.361887
C 3.377713 -1.550113 0.224671
C -1.299921 -0.430700 -0.771433
C 1.005305 1.882715 -0.563812
C 1.640339 -3.127803 -0.620778
C 3.528485 2.059561 0.735685
C 4.239101 -2.682395 0.444522
C 2.794497 3.226887 0.476529
C 1.520251 3.118019 -0.204894
C -2.429242 -0.637592 -1.620225
C -1.495694 0.129540 0.526185
C -3.866786 0.294402 0.077553
C 2.500032 -4.199995 -0.387657
C 3.817164 -3.972966 0.138386
C -3.719862 -0.275742 -1.199021
C -2.784548 0.496688 0.951165
H -0.032542 -1.463901 -2.032648
H 0.046475 1.834098 -1.087221
H 0.623968 -3.321300 -0.982468
H 4.511978 2.092495 1.215409
H 5.228206 -2.478723 0.865916
H 0.964363 4.032887 -0.444526
H -2.288037 -1.078043 -2.614392
H -0.644989 0.259432 1.199804
H 2.167840 -5.223763 -0.591134
H 4.482550 -4.825775 0.312419
H -4.595305 -0.447405 -1.833053
H -2.953532 0.903050 1.953427
H 4.150131 4.599910 1.308144
H 2.715568 5.323047 0.629684
H -6.585744 2.556376 -0.539877
H -5.909337 3.097899 0.948124


