%chk=000113976.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113976

0 1
 S   -1.577200       1.253800     -0.8754000    
 O   -2.238900      -1.948200      -1.376200    
 N   -2.928700     -0.6164000      0.3944000    
 N   -3.591000       1.675600      0.7656000    
 N    1.340900       3.734400      0.4493000    
 C    2.333000      -1.757800      0.9472000    
 C    1.480500      -2.949900      0.5030000    
 C    2.827300     -0.8950000     -0.2152000    
 C   0.1880000      -2.608600     -0.2490000    
 C    3.677700      0.2726000      0.2868000    
 C  -0.7774000      -1.700000      0.5082000    
 C    4.199400       1.117300     -0.8645000    
 C   -2.047900      -1.434700     -0.2758000    
 C   -2.841500      0.6655000      0.2201000    
 C  -0.6210000       2.294000      0.2523000    
 C   0.5766000       2.897400     -0.4707000    
 H    1.771600      -1.141000       1.658300    
 H    3.200400      -2.144800       1.497100    
 H    1.220800      -3.536100       1.393500    
 H    2.088600      -3.607000     -0.1312000    
 H    1.976400     -0.4957000     -0.7782000    
 H    3.414300      -1.511800     -0.9062000    
 H  -0.3202000      -3.552000     -0.4882000    
 H   0.4381000      -2.155000      -1.215900    
 H    3.081100      0.9041000      0.9553000    
 H    4.526500     -0.1047000      0.8688000    
 H  -0.2910000     -0.7532000      0.7509000    
 H   -1.062500      -2.180900       1.451400    
 H    3.382900       1.504200      -1.480300    
 H    4.770000       1.968900     -0.4811000    
 H    4.860900      0.5293000      -1.509000    
 H  -0.2892000       1.685900       1.101100    
 H   -1.256700       3.096000      0.6419000    
 H   0.2484000       3.515900      -1.313500    
 H    1.225600       2.109100     -0.8634000    
 H   -4.345500       1.476000       1.413300    
 H   -3.442700       2.645600      0.5111000    
 H    1.681000       3.168100       1.225600    
 H    2.168700       4.089700     -2.7500000E-02


%chk=000113976-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113976

0 1
S -2.455903 1.727347 -1.266601
O -2.329469 -1.722267 -1.083506
N -2.488579 -0.269741 0.755634
N -3.594902 1.737549 1.227735
N 1.111298 3.445260 0.102560
C 2.574323 -1.986212 0.870361
C 1.641849 -3.087232 0.300576
C 3.025061 -0.930765 -0.166423
C 0.326764 -2.577609 -0.339550
C 3.958672 0.145344 0.432301
C -0.569782 -1.795908 0.640626
C 4.419102 1.192092 -0.605545
C -1.849180 -1.265023 -0.009036
C -2.867980 0.915470 0.390739
C -1.204403 3.031704 -0.641968
C 0.168812 2.402969 -0.328828
H 2.076433 -1.471840 1.718289
H 3.474565 -2.472785 1.299428
H 1.395818 -3.800936 1.114350
H 2.199821 -3.666935 -0.463186
H 2.137125 -0.430014 -0.604049
H 3.539074 -1.439754 -1.008758
H -0.247506 -3.433645 -0.739115
H 0.550705 -1.937718 -1.214159
H 3.434055 0.655503 1.266797
H 4.846396 -0.346604 0.879738
H -0.035074 -0.936791 1.090109
H -0.863586 -2.441210 1.494827
H 3.549485 1.697562 -1.070358
H 5.061572 1.966987 -0.147534
H 4.993792 0.716296 -1.422087
H -1.631278 3.533704 0.242774
H -1.118684 3.763765 -1.461791
H 0.556532 1.928130 -1.248071
H 0.030766 1.587138 0.416984
H -3.869737 1.385411 2.145212
H -4.011604 2.590707 0.862273
H 1.042045 3.741987 1.077189
H 2.070901 3.358667 -0.234038


