%chk=000037995.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037995

0 1
 S    3.211800      0.8664000       1.720200    
 P    2.853800     -0.2755000      0.1801000    
 O    1.439600      -1.068000      0.1656000    
 O   -3.282000      -1.435600     -4.9899999E-02
 O    2.806300      0.4740000      -1.265000    
 O    3.915400      -1.469800     -0.1264000    
 N   0.1302000      0.8354000     -3.8100000E-02
 N   -2.269700      0.6480000     -0.1489000    
 C   -1.225400       2.822400     -0.2503000    
 C   -1.114300       1.339700     -0.1394000    
 C   0.1943000     -0.5089000      6.3600004E-02
 C   -2.132900     -0.6903000     -4.3800000E-02
 C  -0.9154000      -1.330100      6.6399999E-02
 C   -1.339800       3.500000       1.113000    
 C   -4.507700     -0.7224000     -0.1659000    
 C   -5.654800      -1.710400     -0.1695000    
 C    3.885600       1.300700      -1.667100    
 C    4.005100      -2.575800      0.7556000    
 H  -0.3494000       3.217000     -0.7789000    
 H   -2.100500       3.080400     -0.8584000    
 H  -0.8351000      -2.406700      0.1488000    
 H   -2.225800       3.150000       1.653500    
 H   -1.419000       4.584700      0.9917000    
 H  -0.4621000       3.287900       1.732900    
 H   -4.627700     -3.7900001E-02  0.6823000    
 H   -4.526600     -0.1518000      -1.102400    
 H   -6.615200      -1.194700     -0.2575000    
 H   -5.554400      -2.414800      -1.001900    
 H   -5.655500      -2.303700      0.7508000    
 H    3.824200       1.452400      -2.747600    
 H    4.841700      0.8265000      -1.429700    
 H    3.813800       2.271100      -1.169900    
 H    4.293000      -2.239800       1.754600    
 H    4.768100      -3.261400      0.3788000    
 H    3.047700      -3.100800      0.7999000    


%chk=000037995-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037995

0 1
S 3.084527 0.717406 1.939041
P 2.918757 -0.375748 0.201373
O 1.421795 -1.356167 -0.013089
O -3.359416 -1.454905 -0.114270
O 3.224750 0.350769 -1.317147
O 3.984360 -1.701576 -0.019739
N 0.201771 0.641687 -0.255167
N -2.216155 0.613988 -0.280608
C -1.016857 2.771528 -0.418476
C -1.014638 1.262954 -0.323690
C 0.197668 -0.711900 -0.101066
C -2.180828 -0.746089 -0.150395
C -0.975702 -1.482380 -0.040405
C -0.494888 3.423134 0.890105
C -4.635105 -0.679916 -0.220959
C -5.760982 -1.706186 -0.163477
C 3.090286 1.821575 -1.443044
C 4.087192 -2.697901 1.072009
H -0.367997 3.077588 -1.261275
H -2.045098 3.104422 -0.635868
H -0.964167 -2.564865 0.080657
H -1.155237 3.176987 1.740696
H -0.463553 4.522313 0.786556
H 0.520023 3.059303 1.127708
H -4.674557 0.044855 0.611683
H -4.621868 -0.113148 -1.168948
H -6.736671 -1.192285 -0.238261
H -5.682371 -2.425854 -0.996145
H -5.735596 -2.267840 0.785865
H 3.411842 2.025271 -2.474929
H 3.748045 2.335955 -0.720374
H 2.038876 2.113822 -1.284736
H 4.278490 -2.200172 2.040702
H 4.944682 -3.325066 0.788639
H 3.165920 -3.303359 1.124233


