%chk=000041384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041384

0 1
 S   -1.789800      -2.140400      8.0499999E-02
 O    1.959300       1.214100     -6.0300000E-02
 O    1.019300      -1.487900     -0.1548000    
 O    1.496000      -1.707800       2.100600    
 N   -2.968400      -1.008800      0.4379000    
 N  -0.6803000      -2.082900       1.383900    
 C    2.795800       2.381400     -0.3066000    
 C    4.273100       1.929100     -0.3789000    
 C    4.088700      0.4695000     -0.5422000    
 C    2.762400      0.1366000     -0.3261000    
 C    2.573100       3.360200      0.8473000    
 C    2.334000       3.014800      -1.625100    
 C    5.029800     -0.5070000     -0.8149000    
 C    2.320300      -1.171700     -0.3715000    
 C    4.604400      -1.836600     -0.8745000    
 C    3.257600      -2.166900     -0.6533000    
 C   -2.567200      0.3924000      0.6000000    
 C   -4.221800      -1.067700     -0.3202000    
 C   -3.645600       1.169500       1.353000    
 C   -4.038100     -0.4359000      -1.699000    
 C   -3.237500       2.629600       1.551800    
 C   -5.329200     -0.5061000      -2.515400    
 C   0.6670000      -1.760100       1.192100    
 C   -4.321100       3.418500       2.269400    
 C   -5.165000      0.1524000      -3.875900    
 C   -1.216700      -2.388500       2.702300    
 H    4.813300       2.130700      0.5526000    
 H    4.813200       2.382400      -1.215500    
 H    2.829000       2.895700       1.806500    
 H    1.517800       3.647600      0.9169000    
 H    3.174700       4.266900      0.7275000    
 H    2.902100       3.922000      -1.854900    
 H    1.269500       3.272100      -1.580400    
 H    2.447200       2.314600      -2.460500    
 H    6.072400     -0.2539000     -0.9741000    
 H    5.322200      -2.623700      -1.088600    
 H    2.950700      -3.208700     -0.7017000    
 H   -2.271400      0.8812000     -0.3344000    
 H   -1.666200      0.4382000       1.227300    
 H   -5.068700     -0.6343000      0.2203000    
 H   -4.518600      -2.118800     -0.4478000    
 H   -4.591700       1.197200      0.8049000    
 H   -3.839000      0.7032000       2.327200    
 H   -3.781600      0.6256000      -1.632100    
 H   -3.236300     -0.9340000      -2.257300    
 H   -3.037700       3.097300      0.5805000    
 H   -2.309800       2.680700       2.133700    
 H   -5.624400      -1.552500      -2.655000    
 H   -6.141700     -8.8000000E-03  -1.972600    
 H   -4.527100       2.993300       3.256800    
 H   -5.252600       3.420400       1.694400    
 H   -4.005200       4.457600       2.406300    
 H   -4.378100     -0.3388000      -4.457100    
 H   -4.906000       1.211000      -3.771900    
 H   -6.098300      8.5900001E-02  -4.443800    
 H   -1.870900      -1.574000       3.027400    
 H  -0.4101000      -2.493400       3.433400    
 H   -1.777800      -3.327700       2.667000    


%chk=000041384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041384

0 1
S -1.121028 -1.818955 -1.700427
O 1.585652 1.559663 -0.376139
O 0.912929 -1.099789 0.280890
O 0.656111 -2.898244 1.807753
N -2.338194 -0.608810 -1.383874
N -0.692509 -2.700152 -0.101118
C 2.425589 2.787195 -0.771322
C 3.602404 2.805335 0.261484
C 3.605995 1.390780 0.822508
C 2.410645 0.753895 0.424816
C 1.489831 3.995867 -0.680302
C 2.918250 2.519999 -2.204457
C 4.534971 0.716505 1.634080
C 2.112533 -0.569081 0.819540
C 4.240359 -0.609032 2.038824
C 3.043740 -1.252049 1.641178
C -1.918442 0.673413 -0.752329
C -3.743018 -1.056539 -1.199164
C -2.134719 0.751248 0.779004
C -4.768029 -0.040314 -1.749302
C -1.638629 2.098817 1.352397
C -6.211191 -0.592938 -1.683777
C 0.318593 -2.297001 0.753268
C -1.842919 2.206659 2.878708
C -7.257884 0.416944 -2.201865
C -1.499333 -3.877889 0.278025
H 3.415088 3.547375 1.062029
H 4.554699 3.075041 -0.228791
H 1.101465 4.112974 0.346181
H 0.632984 3.876537 -1.366057
H 2.031517 4.918509 -0.958195
H 3.494954 3.384571 -2.582573
H 2.061573 2.346358 -2.877826
H 3.567925 1.627380 -2.232573
H 5.464130 1.203026 1.949570
H 4.946177 -1.155879 2.672711
H 2.821050 -2.266420 1.974468
H -2.477415 1.493794 -1.247231
H -0.846837 0.813384 -0.974411
H -3.963172 -1.258984 -0.126974
H -3.849682 -2.013604 -1.741431
H -3.208530 0.623854 1.028399
H -1.586203 -0.077436 1.266882
H -4.717489 0.905742 -1.174465
H -4.503482 0.203045 -2.797065
H -2.170577 2.932101 0.846520
H -0.564958 2.211723 1.106804
H -6.272458 -1.527249 -2.277978
H -6.451729 -0.871546 -0.637320
H -1.295060 1.403841 3.406620
H -2.912825 2.115946 3.147428
H -1.478946 3.175627 3.268192
H -7.057403 0.690379 -3.254790
H -7.241029 1.347866 -1.604400
H -8.280416 0.000394 -2.149526
H -2.414566 -3.580647 0.825410
H -0.902390 -4.534934 0.931752
H -1.789102 -4.423493 -0.634656


