%chk=000011705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011705

0 1
 S    3.851500       1.024500      0.5660000    
 P    2.032700      0.4422000     -0.3172000    
 O   0.8160000      0.8834000      0.6587000    
 O    1.935200      -1.180600     -0.3445000    
 O    1.921700       1.048800      -1.692500    
 O   -4.933800     -0.6977000      -1.298500    
 O   -5.432500      0.3102000      0.5869000    
 N   -4.592700     -8.7800004E-02 -0.2561000    
 C  -0.5132000      0.6447000      0.4340000    
 C    5.135200      0.4007000     -0.5371000    
 C    2.020500      -1.919300      0.8619000    
 C  -0.9072000     -3.0900000E-02 -0.7162000    
 C   -1.458100       1.079400       1.357700    
 C   -3.213800      0.1587000     -2.3399999E-02
 C   -2.261400     -0.2744000     -0.9456000    
 C   -2.812200      0.8356000       1.128300    
 C    6.511500      0.7576000     -8.6000003E-03
 C    1.900800      -3.395000      0.5460000    
 H    5.034400     -0.6856000     -0.6215000    
 H    4.991100      0.8326000      -1.532100    
 H    2.981300      -1.725300       1.346600    
 H    1.217100      -1.615400       1.539000    
 H  -0.2065000     -0.3845000      -1.462900    
 H   -1.149000       1.606700       2.255800    
 H   -2.538400     -0.8040000      -1.853600    
 H   -3.525900       1.187900       1.868800    
 H    6.646300       1.842200      6.3900001E-02
 H    6.690300      0.3171000      0.9782000    
 H    7.281400      0.3736000     -0.6862000    
 H    1.963800      -3.996300       1.457300    
 H   0.9484000      -3.606000      4.8400000E-02
 H    2.694700      -3.708100     -0.1401000    


%chk=000011705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000011705

0 1
S 4.163285 -0.088723 1.102875
P 2.394527 -0.587777 -0.239497
O 1.141446 0.104692 0.805577
O 2.057487 -2.276719 -0.145928
O 2.451419 -0.095311 -1.747879
O -4.676450 1.168199 -1.648435
O -5.080994 1.407452 0.585053
N -4.293814 1.170607 -0.413550
C -0.193438 0.341094 0.419701
C 5.320361 0.542806 -0.296983
C 2.074628 -2.976764 1.178567
C -0.636565 0.355141 -0.927822
C -1.082963 0.607353 1.490669
C -2.873155 0.885423 -0.124698
C -1.990550 0.625595 -1.196496
C -2.432547 0.883360 1.219297
C 5.025356 1.990266 -0.695996
C 1.809706 -4.447058 0.873355
H 6.321228 0.416862 0.151046
H 5.219320 -0.151063 -1.147007
H 3.064898 -2.820994 1.648503
H 1.289669 -2.538488 1.822462
H 0.065215 0.171769 -1.747134
H -0.697433 0.598023 2.513663
H -2.371629 0.644223 -2.220717
H -3.146129 1.093484 2.019940
H 4.029126 2.073674 -1.161686
H 5.072716 2.668306 0.173149
H 5.775701 2.326297 -1.437485
H 1.806104 -5.026066 1.815337
H 0.831211 -4.573892 0.381095
H 2.591466 -4.856772 0.212426


