%chk=000126880.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126880

0 1
 S   0.1775000      -3.961000      0.5320000    
 S    5.576500      -1.242200     -0.2674000    
 O   0.1065000     -0.7598000       1.741300    
 O    1.583300       2.285600      -1.523700    
 O    3.059500       3.045600      1.1200000E-02
 N    1.025200      6.3299999E-02 -0.2222000    
 C  -0.8520000      -1.476200     -0.3735000    
 C   -2.228400      -1.593300      0.3180000    
 C    2.047600      0.8790000      0.3908000    
 C   0.1286000     -0.6978000      0.5136000    
 C   -3.037000     -0.3191000      0.2961000    
 C  -0.2437000      -2.819900     -0.8239000    
 C    3.337600      8.3200000E-02  0.6326000    
 C   -3.914700     -4.4100001E-02 -0.7526000    
 C    4.072300     -0.2992000     -0.6544000    
 C   -2.896700      0.5900000       1.344700    
 C    2.303500       2.164100     -0.3826000    
 C   -4.652200       1.139900     -0.7525000    
 C   -4.081200      -1.001600      -1.886800    
 C   -3.634100       1.774000       1.344800    
 C   -4.511800       2.048900      0.2963000    
 C    6.633700      0.1407000      0.2181000    
 H  -0.9945000     -0.8882000      -1.291300    
 H   -2.805400      -2.403800     -0.1431000    
 H   -2.111500      -1.914600       1.362000    
 H    1.653300       1.197600       1.364600    
 H   0.6786000      -2.637400      -1.386300    
 H  -0.9384000      -3.334700      -1.496200    
 H   0.9855000      3.5200000E-02  -1.237000    
 H    3.098400     -0.8218000       1.206700    
 H    3.993500      0.6954000       1.263500    
 H    3.434100     -0.9405000      -1.271100    
 H    4.335100      0.5758000      -1.256500    
 H   -2.228100      0.3896000       2.176600    
 H   -5.341200       1.369400      -1.560900    
 H   -4.707900     -0.5780000      -2.679900    
 H   -4.569700      -1.920100      -1.545900    
 H   -3.119000      -1.245400      -2.347000    
 H   -3.527000       2.480600       2.162600    
 H   -5.086600       2.970500      0.2969000    
 H   0.6567000      -4.945600     -0.2422000    
 H    1.758500       3.136600      -1.979000    
 H    6.683900      0.8874000     -0.5788000    
 H    6.275400      0.6056000       1.139300    
 H    7.645000     -0.2338000      0.3994000    


%chk=000126880-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126880

0 1
S 0.695995 -3.400112 0.070189
S 5.347524 -1.649843 0.435305
O 0.168745 -0.221740 1.481029
O 2.285648 2.091575 -2.165383
O 3.619701 3.071836 -0.534539
N 1.079841 0.429165 -0.543919
C -0.859144 -1.108248 -0.601264
C -2.075009 -1.514298 0.283113
C 2.148914 1.201927 0.102909
C 0.154169 -0.263892 0.212697
C -3.110080 -0.401981 0.409992
C -0.153724 -2.323800 -1.255103
C 3.274115 0.301302 0.720416
C -4.148463 -0.242814 -0.560145
C 3.964784 -0.601456 -0.313283
C -3.037169 0.502195 1.500384
C 2.762741 2.221505 -0.846693
C -5.074426 0.819675 -0.405158
C -4.294007 -1.197450 -1.736194
C -3.965973 1.557066 1.641113
C -4.990853 1.717942 0.682492
C 6.646872 -0.311721 0.702753
H -1.225750 -0.481426 -1.441908
H -2.530614 -2.421367 -0.154889
H -1.689220 -1.787862 1.280096
H 1.706702 1.763011 0.950430
H 0.619916 -1.996431 -1.971070
H -0.899530 -2.943605 -1.780832
H 1.015874 0.463148 -1.563303
H 2.804563 -0.317744 1.503303
H 4.003129 0.975263 1.206054
H 3.254080 -1.340268 -0.721278
H 4.401656 -0.023821 -1.149057
H -2.232415 0.372143 2.232608
H -5.875095 0.940090 -1.145608
H -5.125274 -0.888474 -2.392957
H -4.502634 -2.231245 -1.398788
H -3.378179 -1.241763 -2.356625
H -3.891356 2.243303 2.492190
H -5.720298 2.530078 0.780691
H 1.136513 -4.369728 -0.818101
H 2.718973 2.773229 -2.745974
H 6.854123 0.211625 -0.244901
H 6.326481 0.406027 1.473658
H 7.556853 -0.831117 1.041849


