%chk=000089787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089787

0 1
 S   -4.109400      0.7557000     -0.1953000    
 O   -4.735300       1.225200       1.235800    
 O   -4.989800     -0.2346000     -0.7876000    
 O   -3.689900       1.935200     -0.9300000    
 N  -0.7211000      -1.424900     -0.1303000    
 N   0.4522000     -0.7258000     -0.2898000    
 N    1.369500      -1.068900      0.4839000    
 C   -1.907300     -0.7950000     -0.6426000    
 C   -2.676300     -5.8600001E-02  0.4376000    
 C  -0.8560000      -2.477400      0.8699000    
 C    2.513100     -0.2915000      0.2364000    
 C    2.697400      0.9046000      0.9237000    
 C    3.453700     -0.7221000     -0.6947000    
 C    3.832300       1.677200      0.6777000    
 C    4.588700      5.0700001E-02 -0.9406000    
 C    4.777900       1.250300     -0.2543000    
 H   -2.530000      -1.575000      -1.096300    
 H   -1.626400     -0.1116000      -1.453300    
 H   -2.049900      0.7000000      0.9189000    
 H   -3.021700     -0.7570000       1.207300    
 H  -0.9549000      -2.025300       1.860500    
 H   1.5000000E-02  -3.138400      0.8404000    
 H   -1.743500      -3.076800      0.6461000    
 H   -5.118600      0.5040000       1.788600    
 H    1.966000       1.244500       1.652000    
 H    3.314600      -1.655600      -1.233200    
 H    3.979800       2.611200       1.212000    
 H    5.325200     -0.2817000      -1.666200    
 H    5.661700       1.851700     -0.4458000    


%chk=000089787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089787

0 1
S -4.398053 0.149877 -0.689125
O -4.834606 1.708235 0.247980
O -5.452964 -1.027673 -0.335553
O -4.081095 0.487212 -2.239707
N -0.705253 -1.453738 0.367956
N 0.370996 -0.703199 -0.035743
N 1.412175 -0.839754 0.752580
C -1.931441 -1.220455 -0.395978
C -2.758341 -0.108286 0.283730
C -0.672184 -2.292127 1.580855
C 2.564472 -0.103344 0.321669
C 3.678727 -0.158456 1.199706
C 2.658210 0.643698 -0.887628
C 4.869569 0.528462 0.882791
C 3.851482 1.325052 -1.195965
C 4.961492 1.273651 -0.315999
H -2.514793 -2.156343 -0.456785
H -1.648597 -0.909963 -1.415128
H -2.268651 0.876239 0.244418
H -3.106679 -0.352957 1.298919
H -0.496890 -1.683000 2.487060
H 0.158932 -3.015109 1.510372
H -1.631152 -2.828282 1.663845
H -5.725267 2.029919 -0.073987
H 3.585272 -0.743174 2.120969
H 1.799703 0.677839 -1.565332
H 5.723531 0.481296 1.567464
H 3.922414 1.898561 -2.127312
H 5.885993 1.805919 -0.565271


