%chk=000067001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067001

0 1
 S  -0.9125000      -1.441700       1.263400    
 O   -1.156800      -2.872100       1.306600    
 O  -0.8131000     -0.7008000       2.507600    
 O    4.393600       1.499100     -0.3368000    
 O    2.879900       2.151700       1.113000    
 N   -2.076100     -0.6721000      0.2198000    
 N   0.3184000      -3.309400     -0.8086000    
 N    3.311000       1.325000      0.2733000    
 C   0.6146000      -1.203700      0.3954000    
 C   -2.611200      -1.504100     -0.9033000    
 C   -1.884700      0.7188000     -3.9500002E-02
 C    1.055900      -2.139100     -0.5243000    
 C    1.343300     -5.8699999E-02  0.6703000    
 C   -3.980800     -0.9975000      -1.307700    
 C    2.550100      0.1566000      4.6999999E-03
 C   -1.015700       1.126700      -1.051600    
 C   -2.567200       1.670000      0.7190000    
 C    2.262700      -1.923700      -1.189700    
 C    3.009700     -0.7760000     -0.9253000    
 C  -0.8290000       2.485600      -1.305000    
 C   -2.380600       3.028900      0.4653000    
 C   -1.511500       3.436600     -0.5467000    
 H   -1.927900      -1.498300      -1.758000    
 H   -2.731700      -2.540600     -0.5740000    
 H   0.9764000      0.6618000       1.395700    
 H   -4.657600     -0.9548000     -0.4476000    
 H   -3.934100      2.3000001E-03  -1.750900    
 H   -4.423200      -1.665600      -2.053800    
 H  -0.4925000      0.4084000      -1.676000    
 H   -3.247000       1.362300       1.509400    
 H    2.632600      -2.642200      -1.916800    
 H    3.944900     -0.6412000      -1.462800    
 H  -0.1564000       2.802900      -2.096500    
 H   -2.912100       3.769500       1.055600    
 H  -0.5711000      -3.494900     -0.3711000    
 H   0.6733000      -3.965100      -1.492800    
 H   -1.367000       4.494600     -0.7449000    


%chk=000067001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067001

0 1
S -1.046203 -1.493106 1.271441
O -1.424402 -3.099346 1.230977
O -1.004814 -0.688994 2.679069
O 4.286517 1.697686 -0.393582
O 2.614814 2.345958 1.025087
N -2.482959 -0.543475 0.113597
N 0.587338 -3.519336 -0.596271
N 3.170221 1.487832 0.231117
C 0.643712 -1.281995 0.437892
C -2.759017 -1.443879 -1.037968
C -2.050067 0.794394 -0.129004
C 1.194783 -2.302360 -0.408718
C 1.274268 -0.054525 0.670010
C -4.138787 -1.081479 -1.631537
C 2.497661 0.201535 0.017468
C -1.591617 1.270730 -1.394183
C -2.108854 1.694972 0.977356
C 2.444385 -1.988630 -1.045617
C 3.080937 -0.762707 -0.844339
C -1.212881 2.619870 -1.544251
C -1.698380 3.032360 0.821868
C -1.250661 3.501616 -0.437692
H -1.978347 -1.418602 -1.829783
H -2.799094 -2.470289 -0.631388
H 0.846336 0.690748 1.347923
H -4.913214 -1.127915 -0.847759
H -4.143157 -0.066251 -2.063940
H -4.398292 -1.803019 -2.427391
H -1.539491 0.598100 -2.256730
H -2.474843 1.320422 1.937342
H 2.902596 -2.744068 -1.693757
H 4.032036 -0.528829 -1.330099
H -0.873412 2.982728 -2.520629
H -1.732929 3.712482 1.679196
H -0.244574 -3.750840 -0.026828
H 1.031828 -4.226100 -1.178089
H -0.934838 4.543514 -0.555388


