%chk=000040676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040676

0 1
 S   -6.044200     -0.9545000      0.1436000    
 O   -7.453800     -0.8250000      0.4627000    
 O   -5.624500      -1.463600      -1.147000    
 O    3.005400      -4.999200     -0.6639000    
 N   1.7700000E-02   1.279500      -1.292600    
 N    3.681900       1.472000      0.7334000    
 N   -5.266200      0.5405000      0.4983000    
 N    4.272600      -3.263200      0.3052000    
 C    1.260000       1.344800     -0.6052000    
 C    1.995300      0.1748000     -0.3899000    
 C    1.736800       2.578400     -0.1505000    
 C    3.218100      0.2863000      0.2934000    
 C    2.969600       2.595900      0.5233000    
 C    1.540200      -1.078400     -0.8356000    
 C   -1.297800       1.094700     -0.8473000    
 C    3.954900     -0.8749000      0.5108000    
 C    1.018600       3.769800     -0.3528000    
 C    3.505700      -2.121800      6.8999998E-02
 C    2.295800      -2.224300     -0.6056000    
 C    3.449600       3.821200      0.9784000    
 C   -3.926000      0.7282000      4.3200001E-02
 C   -2.357000       1.072600      -1.761700    
 C   -1.565600      0.9319000      0.5167000    
 C    1.520400       4.981700      0.1121000    
 C   -3.666800      0.8900000      -1.317900    
 C   -2.875300      0.7492000      0.9605000    
 C    2.738400       5.007100      0.7791000    
 C   -5.323900      -1.989000       1.398700    
 C   -5.847300      -3.405600       1.317500    
 C    3.989600      -4.586400     -5.9000000E-02
 C    5.077600      -5.532800      0.3828000    
 H   0.1198000       1.385100      -2.297700    
 H   0.6007000      -1.192100      -1.370500    
 H    4.905400     -0.8051000       1.039100    
 H   6.5300003E-02   3.786700     -0.8746000    
 H    1.879800      -3.149000     -0.9793000    
 H    4.401800       3.867200       1.503900    
 H   -2.170900       1.200200      -2.825300    
 H  -0.7671000      0.9436000       1.254000    
 H   0.9644000       5.900600     -4.6300001E-02
 H   -4.475800      0.8889000      -2.043600    
 H   -3.065400      0.6228000       2.023300    
 H   -5.441600      0.9104000       1.442300    
 H    3.139300       5.947500       1.145800    
 H   -4.239800      -1.989400       1.255700    
 H   -5.562100      -1.549200       2.371700    
 H    5.145000      -3.104600      0.8053000    
 H   -5.393300      -4.024300       2.097700    
 H   -6.933600      -3.434600       1.449400    
 H   -5.617000      -3.858400      0.3478000    
 H    6.019000      -5.267000     -0.1062000    
 H    4.811400      -6.557400      0.1090000    
 H    5.200500      -5.476700       1.468000    


%chk=000040676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040676

0 1
S -6.690680 -0.096315 0.266517
O -8.096139 0.408654 0.912455
O -6.626730 -0.751219 -1.221220
O 4.164071 -5.204091 -0.813043
N -0.073240 0.488642 -1.160650
N 3.667378 1.252833 0.840703
N -5.487235 1.533570 0.200956
N 5.144160 -3.270804 0.101165
C 1.128264 0.764154 -0.460986
C 2.089242 -0.286933 -0.317915
C 1.448637 2.073084 0.029727
C 3.364653 0.021424 0.318785
C 2.732335 2.246908 0.708172
C 1.861098 -1.639968 -0.746762
C -1.401790 0.762095 -0.771102
C 4.352922 -1.008226 0.430464
C 0.613515 3.228303 -0.163751
C 4.110615 -2.303954 -0.037739
C 2.831435 -2.627660 -0.623747
C 3.068835 3.543790 1.236209
C -4.129394 1.244421 -0.073829
C -2.443328 0.582767 -1.730206
C -1.744171 1.167777 0.550924
C 0.985597 4.472228 0.340123
C -3.781791 0.826005 -1.393993
C -3.088922 1.381651 0.893952
C 2.216215 4.629084 1.064918
C -5.892347 -1.418212 1.495475
C -6.486826 -2.790357 1.197593
C 5.147653 -4.620910 -0.270697
C 6.452883 -5.355263 0.027111
H 0.023411 -0.116519 -1.979306
H 0.884725 -1.923152 -1.155874
H 5.301008 -0.729459 0.904577
H -0.320821 3.129923 -0.722698
H 2.647639 -3.653005 -0.948747
H 4.027382 3.632615 1.756340
H -2.189984 0.274556 -2.752058
H -0.962216 1.291946 1.305161
H 0.339885 5.341609 0.176152
H -4.579178 0.710943 -2.133607
H -3.340655 1.676669 1.921068
H -5.647532 1.955054 1.137315
H 2.486794 5.612367 1.464948
H -4.811424 -1.345475 1.291968
H -6.148724 -1.006956 2.484779
H 6.003372 -2.923333 0.533220
H -6.003947 -3.543567 1.848966
H -7.572724 -2.812775 1.390455
H -6.309660 -3.076701 0.147080
H 6.873736 -5.734494 -0.920207
H 6.232553 -6.232618 0.658914
H 7.215048 -4.736006 0.531147


