%chk=000052290.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052290

0 1
 S    3.786900      0.1367000       1.377800    
 S    3.232200       2.779200     -2.3000001E-03
 O   0.3485000       3.181400       1.118600    
 N    2.446000      0.3536000     -0.8147000    
 N  -0.3123000       1.932000     -0.7205000    
 N   -1.402500       1.442500     -8.6700000E-02
 C    3.179400      -1.314300      0.6717000    
 C    2.486100     -0.9970000     -0.5002000    
 C    3.307100      -2.637900       1.122400    
 C    1.900700      -2.043500      -1.245500    
 C    3.094300       1.037200      9.9100001E-02
 C    2.718500      -3.654700      0.3663000    
 C    2.024000      -3.363500     -0.8026000    
 C    1.698600       3.253400     -0.8637000    
 C   -3.338300      3.1000001E-03 -0.2939000    
 C   0.5169000       2.802700     -3.9500002E-02
 C   -4.057000     -0.8498000      -1.115600    
 C   -3.747800      0.2717000       1.002000    
 C   -2.112200      0.6376000     -0.8090000    
 C   -5.217500      -1.450600     -0.6280000    
 C   -4.908300     -0.3294000       1.489600    
 C   -5.643200      -1.190500      0.6745000    
 H    3.847800      -2.872800       2.034100    
 H    1.355000      -1.826800      -2.159500    
 H    2.805400      -4.686200      0.6976000    
 H    1.572400      -4.167300      -1.377600    
 H    1.690500       2.825000      -1.870100    
 H    1.659400       4.342700     -0.9587000    
 H   -3.735400      -1.060300      -2.131600    
 H   -3.194600      0.9377000       1.657800    
 H   -1.829700      0.3876000      -1.849000    
 H   -5.789700      -2.121200      -1.262500    
 H   -5.240200     -0.1273000       2.503800    
 H   -6.546800      -1.658400       1.054200    
 H  -0.1388000       1.637200      -1.676500    


%chk=000052290-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052290

0 1
S 4.183694 -0.175826 1.293660
S 2.823285 2.612154 0.943783
O -0.481099 4.221342 0.011945
N 2.099909 0.253511 -0.353996
N -0.263876 1.885557 -0.296486
N -1.607489 1.617418 -0.093720
C 3.509483 -1.562233 0.327819
C 2.421770 -1.115725 -0.489028
C 3.937278 -2.902522 0.320874
C 1.755979 -2.033700 -1.334342
C 2.895062 0.875078 0.500280
C 3.260843 -3.808010 -0.528734
C 2.183295 -3.376498 -1.347470
C 1.723060 3.283901 -0.472324
C -3.377410 -0.035178 0.044729
C 0.210263 3.193673 -0.214032
C -3.734125 -1.410707 -0.019033
C -4.392544 0.933149 0.296350
C -1.974769 0.352305 -0.151489
C -5.074593 -1.813238 0.162802
C -5.727827 0.526913 0.477034
C -6.076138 -0.846351 0.410944
H 4.767614 -3.242005 0.947070
H 0.933384 -1.689325 -1.968815
H 3.576639 -4.856029 -0.554696
H 1.679191 -4.097482 -1.999282
H 2.033134 2.745485 -1.383335
H 2.001246 4.345851 -0.535654
H -2.957531 -2.162914 -0.209192
H -4.106160 1.988671 0.344150
H -1.254391 -0.469542 -0.342146
H -5.338133 -2.875563 0.112289
H -6.502979 1.276954 0.670022
H -7.117308 -1.157166 0.552285
H 0.446645 1.127853 -0.460461


