%chk=000069246.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069246

0 1
 S    2.347500     -8.1600003E-02 -8.8200003E-02
 O    2.808700     -0.1449000       1.479200    
 O    2.629600      -1.387300     -0.6666000    
 O    2.907100       1.126200     -0.6749000    
 N   -2.440700      -1.959800      2.7000001E-03
 C   0.6145000      0.1277000     -4.8200000E-02
 C   -2.154200      0.4637000      1.4600000E-02
 C   -1.607600     -0.8195000     -7.1000000E-03
 C  -0.2232000     -0.9874000     -3.8500000E-02
 C   6.8000004E-02   1.410800     -2.6500000E-02
 C   -1.316400       1.578800      4.9999999E-03
 C   -3.633200      0.6732000      4.8500001E-02
 H   0.1941000      -1.991400     -4.7899999E-02
 H   0.7003000       2.294100     -2.5599999E-02
 H   -1.725300       2.585600      2.3499999E-02
 H   -4.064500      0.2235000      0.9491000    
 H   -3.893100       1.737400      6.1999999E-02
 H   -4.103600      0.2367000     -0.8388000    
 H   -3.446800      -1.869500      2.4499999E-02
 H   -2.026200      -2.882500     -1.4100000E-02
 H    2.433400     -0.8931000       2.000400    


%chk=000069246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000069246

0 1
S 2.366178 -0.192724 -0.072895
O 2.619312 -0.241123 1.771711
O 2.694754 -1.664212 -0.664157
O 3.136554 1.108567 -0.650603
N -2.559794 -1.949645 -0.067999
C 0.520956 0.093138 -0.023029
C -2.237722 0.485195 0.010002
C -1.706523 -0.849937 -0.037411
C -0.296914 -1.041343 -0.051806
C 0.057978 1.415509 0.019379
C -1.346886 1.580301 0.032114
C -3.738283 0.696054 0.025618
H 0.145376 -2.042181 -0.102121
H 0.747513 2.263176 0.025201
H -1.760694 2.594486 0.063124
H -4.209911 0.217679 0.907851
H -3.990344 1.768312 0.060357
H -4.221082 0.273471 -0.878901
H -3.567940 -1.832709 -0.062536
H -2.186680 -2.894011 -0.101449
H 3.602552 -0.347302 1.930649


