%chk=000096604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096604

0 1
 S    1.834300       1.766400      3.1000001E-03
 O   -3.787400       2.391100     -1.8000000E-03
 O   -4.342700      -2.271500      6.0000003E-04
 N   -2.176700      -1.421500      6.0000003E-04
 N  -0.8574000       1.823300     -6.9999998E-04
 N   -4.094500      5.7799999E-02 -6.0000003E-04
 N  -1.7000001E-02 -0.2416000      5.0000002E-04
 C    5.489900     -0.3215000     -1.9000000E-03
 C    4.422900      0.8079000      8.7000001E-03
 C    6.883700      0.3336000      6.4900003E-02
 C    5.329200      -1.249900       1.213400    
 C    5.405000      -1.155400      -1.291000    
 C    2.968800      0.3330000      6.0999999E-03
 C   -1.927500      0.9753000     -1.2000001E-03
 C   -1.385500     -0.2810000     -3.0000001E-04
 C   0.2704000       1.043800      3.0000001E-04
 C   -3.327200       1.253000     -1.3000000E-03
 C   -3.588300      -1.292200     -3.0000001E-04
 C   -1.552300      -2.738600      6.9999998E-04
 C   -5.547800      0.1881000       0.000000    
 H    4.591700       1.455500     -0.8630000    
 H    4.588200       1.434800      0.8961000    
 H    7.048800       1.000100     -0.7891000    
 H    7.678900     -0.4206000      5.6000002E-02
 H    6.999300      0.9265000      0.9793000    
 H    5.328600     -0.6796000       2.148900    
 H    6.150500      -1.974000       1.266600    
 H    4.397900      -1.823800       1.166600    
 H    5.475800     -0.5178000      -2.179200    
 H    4.465500      -1.714300      -1.351800    
 H    6.219900      -1.886900      -1.341300    
 H    2.757100     -0.2698000     -0.8815000    
 H    2.752500     -0.2659000      0.8953000    
 H  -0.8865000       2.834400     -6.0000003E-04
 H   -2.298700      -3.536900      1.8000000E-03
 H  -0.9292000      -2.836700      0.8950000    
 H  -0.9308000      -2.837500     -0.8947000    
 H   -5.872600       1.231100     -3.9999999E-04
 H   -5.945400     -0.3138000      0.8879000    
 H   -5.946200     -0.3148000     -0.8869000    


%chk=000096604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096604

0 1
S 1.909697 1.976686 0.011345
O -3.961987 2.385343 0.036021
O -4.248905 -2.330769 -0.032338
N -2.101699 -1.382041 -0.026131
N -0.882808 1.954878 0.019350
N -4.082723 0.007843 0.001337
N 0.040947 -0.130367 -0.014233
C 5.475453 -0.366134 0.009654
C 4.456375 0.823097 0.014738
C 6.901815 0.247486 0.027308
C 5.292455 -1.256120 1.268426
C 5.312012 -1.228450 -1.270923
C 2.981516 0.396774 -0.000509
C -1.950675 1.044322 0.008931
C -1.347365 -0.219993 -0.011403
C 0.286543 1.209593 0.004929
C -3.369122 1.262295 0.017149
C -3.518560 -1.298809 -0.020226
C -1.449528 -2.704784 -0.048094
C -5.562865 0.059849 0.007755
H 4.663953 1.460327 -0.868447
H 4.650547 1.441226 0.914371
H 7.072787 0.886563 -0.859587
H 7.669319 -0.548777 0.024668
H 7.058934 0.867216 0.930364
H 5.365772 -0.655749 2.195185
H 6.078040 -2.033600 1.306574
H 4.315157 -1.772946 1.271312
H 5.401067 -0.608028 -2.182996
H 4.334372 -1.743735 -1.300904
H 6.097363 -2.005956 -1.313313
H 2.698763 -0.160709 -0.905389
H 2.686595 -0.181783 0.887092
H -0.979456 2.969874 0.035314
H -2.243990 -3.464970 -0.055564
H -0.812900 -2.828540 0.844071
H -0.820831 -2.802749 -0.949060
H -5.851433 1.121058 0.024210
H -5.956319 -0.462563 0.894972
H -5.963112 -0.436759 -0.891159


