%chk=000033624.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033624

0 1
 S    2.541900      -3.144100      -1.146500    
 O    2.712900       3.222900      0.3632000    
 O   0.1405000      -1.008400      0.6462000    
 O   -1.350600     -0.5842000       2.990500    
 N   -3.263500     -0.4536000     -0.1728000    
 N    2.454400      0.5088000     -0.3330000    
 N    3.200600      -1.601600      -1.192800    
 N    1.129500      -2.843200     -0.2921000    
 C   -3.838000      0.6731000     -0.9155000    
 C   -2.570900      1.7400000E-02   1.014600    
 C   -1.953600      -1.132100       1.814600    
 C    1.376200       1.456800     -0.6369000    
 C    3.781300       1.128100     -0.2147000    
 C   -2.715200       1.624900      -1.344800    
 C   -4.828500       1.404500     -3.4000000E-03
 C   -4.564400      0.1256000      -2.148600    
 C    1.421500       2.613300      0.3572000    
 C    3.713500       2.288100      0.7703000    
 C  -0.8926000      -1.907700       1.036800    
 C    2.315700     -0.8457000     -0.5389000    
 C    1.189200      -1.542800     -5.3500000E-02
 H   -2.616400     -0.9584000     -0.7770000    
 H   -1.768500      0.7289000      0.7971000    
 H   -3.251700      0.5231000       1.707300    
 H   -2.735000      -1.828300       2.142500    
 H    1.541300       1.842600      -1.650900    
 H   0.3815000       1.005700     -0.6288000    
 H    4.090800       1.488700      -1.203000    
 H    4.529400      0.4071000      0.1351000    
 H   -1.894200       1.088300      -1.834700    
 H   -3.096100       2.351300      -2.073600    
 H   -2.301800       2.218800     -0.5232000    
 H   -4.347200       2.014200      0.7686000    
 H   -5.523800      0.7095000      0.4826000    
 H   -5.439300       2.100500     -0.5922000    
 H   -5.363600     -0.5692000      -1.864900    
 H   -5.021500      0.9340000      -2.730700    
 H   -3.876400     -0.4104000      -2.813000    
 H   0.6915000       3.377700      7.2800003E-02
 H    1.173000       2.276500       1.371000    
 H    3.494200       1.940000       1.786900    
 H    4.673200       2.813700      0.7971000    
 H  -0.4690000      -2.668900       1.705200    
 H   -1.337100      -2.400500      0.1645000    
 H   -2.052300     -0.1526000       3.507000    


%chk=000033624-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033624

0 1
S 2.572344 -3.395575 -0.936093
O 3.118284 3.221394 0.224473
O -0.006664 -1.012727 0.710594
O -1.579911 -0.621135 3.225448
N -2.981220 -0.170136 -0.262276
N 2.474372 0.439501 -0.191913
N 3.164834 -1.689810 -0.996635
N 1.025653 -2.982306 -0.117006
C -3.868927 0.757414 -1.038958
C -2.549923 0.226449 1.092233
C -2.136808 -1.017049 1.919047
C 1.396154 1.455109 -0.097928
C 3.770959 0.986500 -0.661929
C -3.252781 2.180722 -1.190155
C -5.252201 0.851314 -0.347617
C -4.043256 0.113963 -2.436188
C 1.877012 2.638539 0.759578
C 4.171139 2.191063 0.205473
C -1.087220 -1.893644 1.246654
C 2.233725 -0.913991 -0.389797
C 1.037684 -1.662110 0.082917
H -2.166122 -0.437421 -0.833432
H -1.702735 0.948725 1.116302
H -3.401809 0.708930 1.607852
H -3.034750 -1.659505 2.052394
H 1.140713 1.824304 -1.116128
H 0.501314 1.004034 0.355039
H 3.689659 1.293483 -1.726741
H 4.531017 0.189978 -0.602349
H -2.280207 2.132531 -1.717004
H -3.922316 2.843710 -1.769045
H -3.086381 2.649753 -0.202610
H -5.196153 1.364811 0.630207
H -5.664080 -0.160350 -0.187230
H -5.955047 1.424953 -0.978616
H -4.489982 -0.891325 -2.341233
H -4.696949 0.734734 -3.074182
H -3.068215 0.011152 -2.951536
H 1.136206 3.454855 0.744135
H 2.039800 2.301067 1.805783
H 4.379874 1.852884 1.243464
H 5.064676 2.687040 -0.207511
H -0.641562 -2.595867 1.971630
H -1.523713 -2.463399 0.408250
H -2.255588 -0.090161 3.718241


