%chk=000020732.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020732

0 1
 S  -0.2845000      -1.657100     -0.8037000    
 O   -1.663700       1.064400      0.1724000    
 O   -1.322700      -2.446400       1.478200    
 N    3.670100      -1.896700      4.1200001E-02
 N   -6.449400      0.9045000     -0.3268000    
 C   0.7439000       2.660900      0.1450000    
 C    2.188700       2.959700     -0.2651000    
 C  -0.2101000       2.531400      -1.041300    
 C    2.450200      -1.776100     -0.7517000    
 C    3.148000       3.064900      0.9210000    
 C   -1.638400       2.267400     -0.5833000    
 C    4.005600     -0.6165000      0.6654000    
 C    4.779600      -2.363700     -0.7908000    
 C    1.232900      -1.804900      0.1641000    
 C    4.552300       3.433600      0.4670000    
 C    5.237400     -0.7411000       1.545900    
 C    5.095500      -1.368000      -1.893900    
 C   -2.817200      0.3256000      0.1207000    
 C   -2.784800      -1.061900      0.2600000    
 C   -1.524700      -1.763200      0.4637000    
 C   -4.034200      0.9787000     -7.3899999E-02
 C   -3.969300      -1.796400      0.2047000    
 C   -5.218800      0.2443000     -0.1291000    
 C   -5.186300      -1.143200      1.0300000E-02
 H   0.3900000       3.459300      0.8092000    
 H   0.7351000       1.734600      0.7323000    
 H    2.209200       3.898300     -0.8330000    
 H    2.539500       2.172100     -0.9435000    
 H   0.1286000       1.704700      -1.677300    
 H  -0.1835000       3.446200      -1.644100    
 H    2.366300      -2.625600      -1.443500    
 H    2.441900     -0.8603000      -1.357400    
 H    2.787500       3.830000       1.618500    
 H    3.173700       2.118700       1.470500    
 H   -2.255300       2.198300      -1.488500    
 H   -1.996300       3.095900      3.8699999E-02
 H    4.122200      0.2079000     -4.5600001E-02
 H    3.192400     -0.3184000       1.335800    
 H    5.674700      -2.582300     -0.1989000    
 H    4.513100      -3.327900      -1.243200    
 H    1.209500      -2.745200      0.7261000    
 H    1.238100     -0.9814000      0.8832000    
 H    4.953900       2.680600     -0.2184000    
 H    4.558300       4.401800     -4.3900002E-02
 H    5.223200       3.500200       1.329100    
 H    5.171500      -1.605500       2.215700    
 H    6.163200     -0.8110000      0.9671000    
 H    5.328500      0.1514000       2.175300    
 H    4.247900      -1.157700      -2.552000    
 H    5.503100     -0.4234000      -1.523200    
 H    5.874800      -1.797300      -2.535600    
 H   -4.097300       2.060500     -0.1546000    
 H   -3.958000      -2.878300      0.3102000    
 H   -6.102500      -1.726600     -3.1500001E-02
 H   -6.474400       1.910500     -0.4270000    
 H   -7.308600      0.3723000     -0.3653000    


%chk=000020732-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020732

0 1
S 0.601961 -0.269803 -1.059113
O -1.643822 1.349584 -0.761735
O -0.154334 -2.437733 0.406500
N 3.986284 -2.396096 0.182491
N -5.857290 0.300374 1.496019
C 0.182890 3.715820 -1.027157
C 1.318148 4.423351 -1.799376
C -1.030420 3.381282 -1.922160
C 2.968491 -1.318091 0.157788
C 2.534458 4.764272 -0.908445
C -2.162381 2.670914 -1.176463
C 3.486715 -3.648794 0.806401
C 5.339972 -1.963354 0.601935
C 2.061176 -1.477219 -1.079665
C 3.670395 5.468074 -1.682065
C 4.281982 -4.897630 0.381354
C 5.495018 -1.532595 2.088247
C -2.452832 0.492730 -0.022833
C -1.892938 -0.778267 0.339539
C -0.546140 -1.302401 0.006363
C -3.765986 0.844939 0.361699
C -2.722396 -1.650449 1.107018
C -4.565381 -0.051089 1.122328
C -4.021587 -1.316645 1.496792
H -0.147384 4.361813 -0.185857
H 0.564946 2.777926 -0.581583
H 0.931795 5.356391 -2.262587
H 1.650848 3.774147 -2.636060
H -0.708526 2.741225 -2.765932
H -1.446233 4.312779 -2.359473
H 3.480398 -0.338447 0.110868
H 2.333932 -1.310969 1.073010
H 2.202171 5.408945 -0.069028
H 2.918873 3.830926 -0.449595
H -3.047272 2.520987 -1.828584
H -2.466207 3.244154 -0.275233
H 3.471265 -3.579337 1.923018
H 2.432170 -3.770309 0.498451
H 6.049603 -2.783820 0.384913
H 5.635903 -1.119538 -0.051289
H 2.610752 -1.270129 -2.012216
H 1.631826 -2.490587 -1.119024
H 4.039640 4.831678 -2.508507
H 3.318787 6.419640 -2.124393
H 4.528331 5.698067 -1.023655
H 4.296605 -4.982537 -0.719695
H 5.327897 -4.867677 0.738151
H 3.813991 -5.808081 0.799798
H 4.813210 -0.697448 2.333969
H 5.275167 -2.367075 2.778711
H 6.530689 -1.196310 2.284039
H -4.183581 1.815176 0.076567
H -2.292175 -2.618147 1.384108
H -4.622744 -2.020017 2.083873
H -6.255535 1.197925 1.235250
H -6.430726 -0.339929 2.037719


