%chk=000001113.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001113

1 1
 S   -2.191900       4.149800      0.1904000    
 P   -3.173600     -0.9214000       1.182000    
 P   -1.672600      -3.017200     -0.2312000    
 O   -3.181600      4.1900001E-02 -0.1188000    
 O  -0.1332000      -3.452200      3.5999999E-03
 O   -1.913600      -1.893700      0.9043000    
 O   0.7090000      -2.292900       1.853500    
 O   -2.645400      4.5200001E-02   2.366600    
 O   -4.468600      -1.624500       1.465600    
 O   -1.616900      -2.151100      -1.596200    
 O   -2.664200      -4.143600     -0.2339000    
 O    1.371000      -2.103300      -3.198700    
 O    2.848000     -0.8383000      -2.029700    
 N  -5.5799998E-02   3.153100     -0.6623000    
 N    3.743200      0.8314000       1.160100    
 N    1.545700      0.7188000       2.143000    
 N    4.114200       2.126200     -0.7917000    
 C   -1.042800       2.351100      -1.190300    
 C   -2.300900       2.760000     -0.8171000    
 C   -3.651300       2.178300      -1.162300    
 C    1.352800       2.943400     -0.8983000    
 C  -0.4843000       4.145400      8.7600000E-02
 C   -4.095700       1.124100     -0.1520000    
 C  -0.6427000       1.219100      -2.039100    
 C    1.913600       2.035400      0.1618000    
 C    3.236400       1.645300      0.2109000    
 C    2.220900      -2.953700      0.1242000    
 C    1.106500       1.536200       1.163600    
 C   0.8012000      -2.478800      0.4450000    
 C    2.471200      -3.153300      -1.372300    
 C    2.855500      0.4114000       2.081600    
 C    2.267300      -1.901600      -2.197800    
 C    3.378600     -0.4904000       3.147700    
 H   -3.592800       1.725700      -2.159500    
 H   -4.404400       2.973300      -1.220000    
 H    1.525700       2.535600      -1.898400    
 H    1.867900       3.912300     -0.8559000    
 H   0.1578000       4.865000      0.5769000    
 H   -5.078300      0.7322000     -0.4342000    
 H   -4.182600       1.566600      0.8466000    
 H   -1.509100      0.6258000      -2.347200    
 H   3.3399999E-02  0.5362000      -1.517700    
 H  -0.1618000       1.565500      -2.959200    
 H    2.944300      -2.235500      0.5261000    
 H    2.415200      -3.906300      0.6336000    
 H   5.0000001E-02   1.745300       1.263000    
 H   0.5963000      -1.518000     -3.6899999E-02
 H    3.499600      -3.492200      -1.541100    
 H    1.817100      -3.946900      -1.752700    
 H    5.080100       1.828500     -0.7242000    
 H    3.746600       2.306900      -1.717100    
 H    1.237500      -2.980200       2.292200    
 H    3.941400      -1.316900       2.703700    
 H    4.042200      6.9300003E-02   3.813600    
 H    2.565400     -0.9130000       3.746000    
 H   -1.802000      0.5300000       2.242100    
 H   -2.455900      -1.821200      -1.982800    
 H    1.244700      -1.297300      -3.743400    


%chk=000001113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001113

1 1
S -2.075465 4.404080 -0.841857
P -2.598910 -0.219892 1.949606
P -1.398279 -2.755424 0.394714
O -2.648745 1.278133 0.993764
O -0.029190 -2.693964 -0.679297
O -1.613730 -1.092229 0.686094
O 1.404079 -2.326211 1.253383
O -1.530369 0.115878 3.109502
O -4.034439 -0.866791 2.121730
O -2.588832 -3.100693 -0.784927
O -1.286160 -3.766080 1.609122
O 2.835835 -1.396590 -4.414751
O 2.528202 -0.227312 -2.442866
N 0.014665 2.922574 -1.206417
N 3.099030 0.658702 1.931381
N 0.769013 0.808987 2.351096
N 4.012695 1.333735 -0.095398
C -1.067164 2.046364 -1.502374
C -2.296100 2.666702 -1.313708
C -3.621449 1.982230 -1.165626
C 1.420320 2.447316 -1.041546
C -0.344288 4.181458 -0.861984
C -3.896797 1.711508 0.350101
C -0.861278 0.620470 -1.917289
C 1.608466 1.723786 0.287766
C 2.905448 1.238304 0.697701
C 2.356651 -2.843805 -0.983278
C 0.560828 1.469136 1.169870
C 1.259584 -2.146837 -0.168730
C 2.207968 -2.698158 -2.511195
C 2.036735 0.431252 2.730014
C 2.532527 -1.327861 -3.065253
C 2.206874 -0.279807 4.035592
H -3.589696 1.023825 -1.711699
H -4.455919 2.577278 -1.578522
H 1.672133 1.779447 -1.885199
H 2.082835 3.331052 -1.101147
H 0.365201 4.968327 -0.618454
H -4.685811 0.946262 0.470765
H -4.216102 2.644281 0.850761
H -1.050150 -0.061597 -1.065303
H 0.153119 0.434272 -2.302145
H -1.576829 0.353460 -2.712703
H 3.330256 -2.449015 -0.639804
H 2.328780 -3.923032 -0.741910
H -0.484728 1.735656 0.977901
H 1.255419 -1.056427 -0.312797
H 2.843825 -3.429880 -3.038434
H 1.164332 -2.938493 -2.798306
H 4.890953 0.981403 0.290428
H 3.943401 1.465890 -1.103557
H 1.347601 -3.287209 1.503345
H 1.805422 -1.306184 3.944390
H 3.272805 -0.338826 4.294807
H 1.648578 0.219650 4.845477
H -0.184538 0.484018 2.856790
H -3.173842 -3.866783 -0.550874
H 3.023530 -0.495541 -4.795448


