%chk=000037093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037093

0 1
 S    3.506400      -2.678100      0.5841000    
 O   -1.989800      0.6499000      -1.906000    
 O    4.600500      -2.411800     -0.3310000    
 O    3.396800      -3.978400       1.216900    
 N   -3.692000     -0.8827000      -1.528900    
 N    3.456400      -1.435400       1.777000    
 N    2.120100      0.5077000       1.713200    
 N    4.279000      0.4627000      0.6437000    
 C    2.066300       4.025500      -1.260100    
 C    2.745000       3.887500      0.1169000    
 C   -4.649500      5.1700000E-02 -0.9849000    
 C    2.935600       2.458200      0.5626000    
 C    1.966700       5.504300      -1.642800    
 C   0.6722000       3.393500      -1.278800    
 C   -1.617100      -1.674200      -2.474700    
 C   -4.449500      0.2390000      0.5035000    
 C  -0.3544000      -1.922400      -1.721000    
 C    2.007400      -2.384200     -0.3099000    
 C   -2.426700     -0.4973000      -1.948500    
 C   -6.074100     -0.3741000      -1.334100    
 C   0.8278000      -1.295700      -2.115500    
 C  -0.3555000      -2.779800     -0.6208000    
 C    1.982400       1.784200       1.298300    
 C    4.075100       1.740500      0.2616000    
 C    2.008600      -1.526700      -1.410100    
 C   0.8253000      -3.010900      8.4700003E-02
 C    3.275600     -8.4299996E-02   1.356200    
 C   -4.678200       1.485300       1.086600    
 C   -4.035900     -0.8346000       1.292200    
 C   -4.493500       1.658100       2.458400    
 C   -3.851200     -0.6619000       2.664000    
 C   -4.080000      0.5845000       3.247000    
 H    2.680200       3.517900      -2.015400    
 H    2.163100       4.422500      0.8795000    
 H    3.725400       4.381700      9.5799997E-02
 H   -4.461000       1.015900      -1.475600    
 H    1.349000       6.059600     -0.9287000    
 H    2.958900       5.967200      -1.665500    
 H    1.522700       5.620200      -2.637100    
 H   4.2399999E-02   3.789500     -0.4751000    
 H   0.7212000       2.305100      -1.177900    
 H   0.1685000       3.599100      -2.229900    
 H   -2.220000      -2.590700      -2.491800    
 H   -1.394000      -1.463500      -3.528900    
 H   -3.946300      -1.866200      -1.547200    
 H   -6.196300     -0.4692000      -2.418700    
 H   -6.805400      0.3564000     -0.9716000    
 H   -6.321700      -1.344100     -0.8877000    
 H   0.8414000     -0.6225000      -2.968600    
 H   -1.271400      -3.270000     -0.3011000    
 H    2.915700      -1.025100      -1.734800    
 H   0.8016000      -3.676200      0.9431000    
 H    1.051000       2.258200       1.591100    
 H    4.884300       2.178200     -0.3142000    
 H    2.922000      -1.669200       2.623900    
 H   -5.002300       2.329300      0.4836000    
 H   -3.863700      -1.820300      0.8693000    
 H   -4.672100       2.628400       2.912500    
 H   -3.532200      -1.498400       3.278900    
 H   -3.936900      0.7188000       4.315200    


%chk=000037093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037093

0 1
S 2.815254 -2.728996 0.787411
O -3.625074 -1.904976 -4.130771
O 4.155645 -2.369045 -0.045023
O 2.773054 -3.974886 1.831424
N -3.129641 -1.623661 -1.877297
N 2.323569 -1.326636 1.910290
N 2.642921 0.878960 2.623822
N 2.399774 0.358865 0.246339
C 1.335417 4.829141 0.374486
C 2.726657 4.161291 0.628343
C -4.111639 -0.527421 -1.674298
C 2.649965 2.688316 0.972106
C 1.529063 6.257780 -0.183735
C 0.469853 4.849724 1.654916
C -1.915410 -3.379614 -3.150661
C -3.585183 0.424641 -0.591125
C -0.749948 -3.236280 -2.188680
C 1.365385 -2.895324 -0.400625
C -2.957933 -2.231906 -3.101930
C -5.523123 -1.100995 -1.420939
C 0.309763 -2.335435 -2.485735
C -0.707678 -3.971833 -0.974806
C 2.710566 2.201065 2.304030
C 2.503901 1.689056 -0.025617
C 1.385257 -2.154020 -1.592317
C 0.358031 -3.809545 -0.060420
C 2.471670 0.015516 1.571486
C -4.406235 0.906119 0.458594
C -2.234036 0.863264 -0.647428
C -3.892346 1.800090 1.426638
C -1.717266 1.750062 0.320587
C -2.547070 2.224688 1.363469
H 0.807892 4.224422 -0.393757
H 3.234211 4.711753 1.445625
H 3.348148 4.295832 -0.279051
H -4.146370 0.010047 -2.644082
H 2.071490 6.892914 0.542950
H 2.108087 6.249925 -1.126012
H 0.554758 6.738221 -0.387825
H 0.946567 5.473345 2.435954
H 0.327290 3.835399 2.070945
H -0.528406 5.275368 1.444975
H -2.463037 -4.323275 -2.965834
H -1.568803 -3.412088 -4.197643
H -2.558592 -1.917601 -1.080888
H -5.783558 -1.788066 -2.243035
H -6.280479 -0.296912 -1.403099
H -5.571748 -1.653721 -0.465365
H 0.291793 -1.774169 -3.426939
H -1.504365 -4.689312 -0.746332
H 2.205005 -1.460027 -1.795148
H 0.419605 -4.385031 0.868644
H 2.839541 2.889574 3.148019
H 2.473646 1.962399 -1.087936
H 2.474822 -1.581214 2.895930
H -5.450391 0.586122 0.530885
H -1.585067 0.501266 -1.454033
H -4.542930 2.160391 2.231524
H -0.669527 2.066632 0.264246
H -2.148846 2.912505 2.117647


