%chk=000067360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067360

0 1
 S   -1.942300      -2.048700      0.4917000    
 O    2.797500      -1.453800      -1.193300    
 O   -1.310600      -2.092300       1.997700    
 O   -3.321300      -2.498400      0.5935000    
 O   -1.009800      -2.702000     -0.4113000    
 N   0.4747000     -0.2908000     -0.1103000    
 N   -4.485600       2.308500     -0.4754000    
 C  -0.7827000      0.3464000     -0.1969000    
 C   -1.963000     -0.3528000      5.6000002E-02
 C    1.758200      0.1775000      0.2266000    
 C   -3.192900      0.2988000     -3.6200002E-02
 C  -0.8322000       1.697000     -0.5420000    
 C   -3.242400       1.649500     -0.3814000    
 C   -2.062000       2.348500     -0.6342000    
 C    2.900900     -0.4118000     -0.3207000    
 C    1.890400       1.244600       1.118900    
 C    4.167000      6.3000001E-02  2.1800000E-02
 C    3.156600       1.719300       1.461400    
 C    4.294800       1.128500      0.9130000    
 C    2.704800      -1.131000      -2.579100    
 H   0.4657000      -1.263100     -0.4027000    
 H   -4.124400     -0.2258000      0.1588000    
 H   6.7100003E-02   2.262400     -0.7702000    
 H   -2.088000       3.399800     -0.9096000    
 H    1.024500       1.709500       1.582500    
 H    5.058400     -0.3928000     -0.4006000    
 H    3.256600       2.545100       2.159600    
 H    5.280600       1.497100       1.181000    
 H   -4.521700       3.287500     -0.7263000    
 H   -5.342200       1.802700     -0.2933000    
 H   -1.826300      -1.611200       2.686900    
 H    1.823700     -0.5121000      -2.775400    
 H    2.608600      -2.063500      -3.142000    
 H    3.609500     -0.6128000      -2.912700    


%chk=000067360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067360

0 1
S -2.101572 -1.966437 0.000069
O 2.382382 -1.260548 -1.427359
O -1.585492 -2.149888 1.781580
O -3.596819 -2.555800 -0.173279
O -0.892084 -2.581950 -0.904934
N 0.349100 -0.026035 -0.315355
N -4.762039 2.499750 0.055620
C -0.889898 0.610468 -0.181073
C -2.113257 -0.111532 -0.063384
C 1.623424 0.495103 -0.016151
C -3.393570 0.466392 0.009042
C -1.055794 2.030386 -0.230658
C -3.515871 1.876661 -0.023483
C -2.314280 2.639351 -0.147312
C 2.743859 -0.178379 -0.606554
C 1.881021 1.572113 0.868250
C 4.063815 0.234707 -0.342271
C 3.206584 1.991006 1.127542
C 4.297085 1.333163 0.521653
C 3.451089 -2.071975 -2.008255
H 0.346167 -0.981286 -0.709041
H -4.271292 -0.185073 0.084006
H -0.171243 2.654513 -0.379146
H -2.377041 3.733022 -0.201412
H 1.050689 2.057029 1.388971
H 4.909766 -0.284777 -0.802619
H 3.380386 2.823955 1.817073
H 5.323358 1.657771 0.722060
H -4.839840 3.511394 0.021684
H -5.614153 1.954889 0.145072
H -1.322316 -3.108090 1.909982
H 4.074072 -1.473601 -2.701000
H 2.936021 -2.868802 -2.563848
H 4.089946 -2.514701 -1.219669


