%chk=000127252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127252

1 1
 S    2.567400      -3.295300     -0.5025000    
 P    3.450500      0.9731000     -0.7557000    
 O    1.917700      0.9612000     -0.2347000    
 O    3.964700     -0.5497000     -0.5735000    
 O    4.256600       1.768500      0.4006000    
 O    3.640300       1.537800      -2.134400    
 O    1.136200      -2.702300       1.631200    
 N  -0.9633000       3.163700      0.4671000    
 C  -0.2029000       1.891200      0.3853000    
 C   -1.031500       3.846200     -0.9058000    
 C  -0.2958000       4.134800       1.450500    
 C   -2.399000       2.910400      0.9466000    
 C    1.197600       2.176600     -0.1200000    
 C   -3.740800      -1.433200      0.2406000    
 C   -2.520900      -1.863800     -0.5765000    
 C   -4.952000      -1.181300     -0.6589000    
 C   -1.300200      -2.083000      0.3226000    
 C   -6.161100     -0.7185000      0.1536000    
 C  -5.6899998E-02  -2.487300     -0.4711000    
 C   -7.357700     -0.4352000     -0.7405000    
 C    1.143800      -2.778700      0.4091000    
 C    3.822200      -1.161200      0.7018000    
 C    3.885300      -2.674300      0.5648000    
 H  -0.1788000       1.424200       1.377400    
 H  -0.7307000       1.206100     -0.2896000    
 H  -5.8800001E-02   4.272900      -1.161600    
 H   -1.763000       4.658500     -0.8439000    
 H   -1.354000       3.106700      -1.644600    
 H   0.6369000       4.514200       1.026700    
 H  -0.9775000       4.976100       1.611300    
 H  -0.1210000       3.606600       2.392200    
 H   -2.927900       3.866500      0.9997000    
 H   -2.349300       2.442700       1.934200    
 H   -2.883600       2.241800      0.2289000    
 H    1.204100       2.629500      -1.113500    
 H    1.763000       2.814400      0.5630000    
 H   -3.983400      -2.208300      0.9774000    
 H   -3.502700     -0.5193000      0.7987000    
 H   -2.748000      -2.788100      -1.121000    
 H   -2.288700      -1.095100      -1.323700    
 H   -4.700400     -0.4193000      -1.406800    
 H   -5.203400      -2.098900      -1.204400    
 H   -1.529900      -2.860200       1.062500    
 H   -1.087500      -1.168000      0.8890000    
 H   -5.908700      0.1902000      0.7125000    
 H   -6.432400      -1.486300      0.8875000    
 H   0.2088000      -1.678800      -1.162600    
 H  -0.2811000      -3.386600      -1.057200    
 H   -7.655900      -1.332200      -1.292400    
 H   -7.128800      0.3537000      -1.464100    
 H   -8.211000     -0.1069000     -0.1389000    
 H    2.902000     -0.8322000       1.192500    
 H    4.657200     -0.8257000       1.326600    
 H    4.834900      -2.963900      0.1030000    
 H    3.828500      -3.154200       1.546700    
 H    5.190000       2.022300      0.2385000    


%chk=000127252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127252

1 1
S 2.120380 -2.630418 0.216399
P 3.461831 1.235383 -1.466308
O 1.829086 1.199479 -0.883172
O 4.057278 -0.150028 -0.679781
O 3.937767 2.622648 -0.518071
O 3.742595 1.326607 -3.013329
O 0.756088 -0.705868 1.647654
N -0.022565 2.913830 1.137282
C -0.253195 2.181997 -0.208989
C -0.068212 4.425113 0.937790
C 1.310181 2.519947 1.784252
C -1.153223 2.488740 2.078340
C 0.877201 2.267676 -1.233443
C -4.192808 -1.183354 -0.624305
C -3.085743 -2.154423 -0.154720
C -5.547786 -1.881695 -0.880512
C -1.740566 -1.444212 0.115564
C -6.654037 -0.910865 -1.353471
C -0.633041 -2.428278 0.565153
C -8.004203 -1.616112 -1.603953
C 0.677122 -1.747598 0.938853
C 3.835775 -0.352591 0.784535
C 3.627487 -1.838564 1.044519
H -0.415382 1.120722 0.038898
H -1.184140 2.605104 -0.626059
H 0.752858 4.732940 0.274186
H 0.051488 4.916884 1.915089
H -1.036869 4.705956 0.496118
H 2.144240 2.826908 1.135781
H 1.373667 3.033871 2.756954
H 1.310929 1.428169 1.920120
H -1.057634 3.043937 3.023955
H -1.057924 1.407623 2.264839
H -2.122771 2.714546 1.607752
H 0.454202 2.061474 -2.233691
H 1.378599 3.254322 -1.266942
H -4.334437 -0.388009 0.139221
H -3.865524 -0.673921 -1.555539
H -3.418887 -2.674078 0.766917
H -2.940242 -2.941414 -0.922066
H -5.412223 -2.678549 -1.640485
H -5.881064 -2.390521 0.047536
H -1.885280 -0.676238 0.902973
H -1.412525 -0.922674 -0.807670
H -6.323033 -0.404931 -2.283704
H -6.789496 -0.112948 -0.594095
H -0.453786 -3.192267 -0.213262
H -0.977649 -2.974936 1.467829
H -8.372879 -2.107745 -0.684358
H -7.908031 -2.393792 -2.384308
H -8.777716 -0.900520 -1.936233
H 2.966238 0.227364 1.125251
H 4.751797 -0.012584 1.301491
H 4.471340 -2.433290 0.659251
H 3.539254 -2.002506 2.132461
H 4.774566 3.065791 -0.814297


