%chk=000051510.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051510

0 1
 S    1.075000      -2.377500     -0.1747000    
 O    1.652000      -3.106500      0.9442000    
 O  -0.3694000      -2.248200     -0.2906000    
 O    5.421600     -0.2563000       1.525000    
 O    5.523100       1.962300       1.041300    
 N    1.039800       2.663700      -1.401300    
 N    1.689400      -3.022000      -1.632000    
 C  -0.2305000      9.4800003E-02  -1.429500    
 C   -1.445300      0.2935000     -0.5015000    
 C    1.111100      0.2985000     -0.7977000    
 C   -2.807900      4.3600000E-02  -1.166900    
 C    1.776000     -0.7737000     -0.2029000    
 C    1.696000       1.564800     -0.8042000    
 C   -4.006600      0.2042000     -0.2662000    
 C    3.025700     -0.5797000      0.3855000    
 C    2.945800       1.758900     -0.2159000    
 C    3.610700      0.6866000      0.3790000    
 C   -4.479900     -0.8915000      0.4395000    
 C   -4.616000       1.445100     -0.1588000    
 C    4.914300      0.8886000      0.9911000    
 C   -5.588900     -0.7429000       1.272500    
 C   -5.724900       1.593800      0.6742000    
 C   -6.211300      0.4998000       1.389900    
 H  -0.2828000     -0.8466000      -1.986500    
 H  -0.3474000      0.7928000      -2.269400    
 H   -1.363900     -0.2984000      0.4162000    
 H   -1.431700       1.333700     -0.1458000    
 H   -2.915800      0.7143000      -2.029800    
 H   -2.818300     -0.9693000      -1.591100    
 H    3.534200      -1.427500      0.8355000    
 H    3.396700       2.748900     -0.2245000    
 H   -4.000300      -1.862700      0.3567000    
 H   -4.243100       2.303500     -0.7103000    
 H    1.491900       3.569400      -1.385300    
 H   6.9899999E-02   2.619700      -1.676300    
 H    2.411500      -3.749700      -1.565000    
 H    1.030200      -3.160700      -2.407600    
 H   -5.967200      -1.594500       1.830300    
 H   -6.209100       2.561600      0.7661000    
 H   -7.074400      0.6157000       2.038800    
 H    6.300400     -0.1093000       1.935600    


%chk=000051510-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051510

0 1
S 1.127539 -2.536138 -0.209897
O 2.160778 -3.452250 0.652020
O -0.464793 -2.576850 0.129083
O 5.502994 -0.276427 1.679649
O 5.502979 2.008993 1.264539
N 1.069538 2.708721 -1.264980
N 1.195311 -2.975600 -2.006482
C -0.233887 0.114169 -1.523249
C -1.443761 0.414415 -0.591094
C 1.102866 0.289155 -0.827936
C -2.794274 0.152068 -1.309083
C 1.826971 -0.762385 -0.225945
C 1.705315 1.595249 -0.725029
C -3.983304 0.275384 -0.366476
C 3.057644 -0.648705 0.433940
C 2.959708 1.748081 -0.076463
C 3.629031 0.645474 0.493820
C -4.181425 -0.691206 0.655775
C -4.900719 1.351501 -0.466731
C 4.936594 0.893659 1.159978
C -5.266402 -0.582867 1.552379
C -5.988597 1.464584 0.430573
C -6.174785 0.497188 1.444019
H -0.334381 -0.918285 -1.898160
H -0.276620 0.764801 -2.421910
H -1.371165 -0.251705 0.285897
H -1.414389 1.455777 -0.213569
H -2.908863 0.850621 -2.161745
H -2.757779 -0.871982 -1.731977
H 3.545075 -1.513571 0.890184
H 3.431268 2.734653 0.000037
H -3.481900 -1.532540 0.743765
H -4.765456 2.103358 -1.254882
H 1.502189 3.625772 -1.200791
H 0.141417 2.642979 -1.669761
H 2.160238 -3.257521 -2.251898
H 0.512428 -3.739111 -2.156857
H -5.406092 -1.339711 2.332754
H -6.689409 2.302286 0.336717
H -7.018094 0.581015 2.138859
H 6.366814 -0.052250 2.118528


