%chk=000063954.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063954

0 1
 S  -3.4299999E-02  -3.538800      0.6734000    
 O   -1.210600     -0.6413000       2.952500    
 O    1.647100      0.8764000       1.398300    
 O    5.733200      -1.152000      -1.119900    
 N  -0.2846000     -0.9634000      0.8416000    
 N  -0.4037000      0.3464000      0.4238000    
 N   -1.746000       1.990400     -0.6147000    
 C   0.2359000      -1.916300     -0.1068000    
 C  -0.7368000      -1.362500       2.080400    
 C    1.687600      -1.714400     -0.3742000    
 C  -0.5647000      -2.851000       2.262700    
 C   -1.545900      0.7571000     -0.2626000    
 C   0.6342000       1.199500      0.7864000    
 C   0.4249000       2.605200      0.3729000    
 C  -0.7565000       2.939900     -0.3037000    
 C   -2.577300     -0.2452000     -0.5977000    
 C    2.133300      -1.489200      -1.677100    
 C    2.603500      -1.750200      0.6782000    
 C    1.387900       3.577800      0.6613000    
 C    3.492400      -1.300300      -1.927600    
 C    3.962700      -1.561100      0.4279000    
 C  -0.9567000       4.270600     -0.6879000    
 C   -2.510500     -0.9260000      -1.809400    
 C   -3.608400     -0.5022000      0.3006000    
 C    4.407200      -1.336200     -0.8751000    
 C    1.171700       4.898400      0.2709000    
 C   1.6000000E-03   5.244800     -0.4023000    
 C   -3.484500      -1.872900      -2.126200    
 C   -4.582300      -1.449200     -1.6100001E-02
 C   -4.520300      -2.134500      -1.229600    
 H  -0.3338000      -1.904500      -1.032800    
 H   0.1951000      -3.039100       3.025500    
 H   -1.516100      -3.297900       2.561800    
 H    1.432500      -1.456700      -2.507200    
 H    2.289400      -1.915800       1.705100    
 H    2.305400       3.327000       1.185900    
 H    3.825700      -1.125400      -2.947000    
 H    4.670300      -1.588200       1.252000    
 H   -1.863800       4.557500      -1.214700    
 H   -1.716200     -0.7196000      -2.522000    
 H   -3.666600      2.7600000E-02   1.247500    
 H    1.915600       5.658300      0.4918000    
 H  -0.1652000       6.274300     -0.7058000    
 H   -3.437800      -2.404300      -3.072200    
 H   -5.389000      -1.652800      0.6819000    
 H   -5.279000      -2.871400      -1.476300    
 H    5.860800      -1.009900      -2.073600    


%chk=000063954-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063954

0 1
S 0.456506 -3.521298 1.791984
O -1.731199 -0.472968 3.186435
O 1.097842 0.869447 2.434974
O 5.111957 -0.661048 -2.100943
N -0.453635 -1.036315 1.300787
N -0.492881 0.278093 0.798469
N -1.224433 1.796682 -0.906496
C 0.203872 -2.102971 0.501861
C -1.001719 -1.285844 2.565113
C 1.491304 -1.704833 -0.175465
C -0.628895 -2.670459 3.080885
C -1.318648 0.621386 -0.306024
C 0.412682 1.216096 1.437376
C 0.444531 2.532069 0.781254
C -0.340485 2.761340 -0.394075
C -2.313798 -0.367079 -0.809233
C 1.604624 -1.864058 -1.577462
C 2.602181 -1.199705 0.552941
C 1.290358 3.551980 1.288680
C 2.797583 -1.527323 -2.252024
C 3.792762 -0.854849 -0.106575
C -0.254300 4.020686 -1.049668
C -2.422175 -0.562445 -2.210692
C -3.203811 -1.046573 0.064725
C 3.891041 -1.020266 -1.510258
C 1.361973 4.791665 0.632713
C 0.588967 5.022125 -0.540908
C -3.384513 -1.452667 -2.732022
C -4.171831 -1.927655 -0.463602
C -4.258777 -2.142429 -1.859212
H -0.515368 -2.485014 -0.243504
H -0.063935 -2.558166 4.019497
H -1.542955 -3.256356 3.267199
H 0.754307 -2.254994 -2.150036
H 2.522854 -1.073618 1.637413
H 1.876526 3.340633 2.188753
H 2.872937 -1.657531 -3.339162
H 4.654333 -0.460928 0.439787
H -0.867534 4.179133 -1.941661
H -1.757809 0.000446 -2.874316
H -3.172139 -0.850078 1.141450
H 2.011491 5.582409 1.022205
H 0.648749 5.991500 -1.047720
H -3.458524 -1.602540 -3.814661
H -4.866114 -2.436442 0.213803
H -5.009042 -2.830911 -2.263602
H 5.092539 -0.809427 -3.079082


