%chk=000102420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102420

0 1
 S   -2.283900      0.1361000      -2.461900    
 P   -2.314600     -1.3800000E-02 -0.5084000    
 O   -1.069200     -0.8846000      8.3899997E-02
 O    4.302400      0.5505000      0.3325000    
 N    2.987400      0.2309000      0.5159000    
 N   -3.675400     -0.7054000      0.1602000    
 N   -2.167000       1.429900      0.3132000    
 C    2.696900      -1.240700      0.1748000    
 C    2.045800       1.273100     -0.1111000    
 C   0.2704000     -0.5642000     -0.2858000    
 C    1.205800      -1.541200      0.4176000    
 C   0.5824000      0.8658000      0.1437000    
 C   -4.062100      -2.003400     -0.3695000    
 C   -3.460100      -1.873700      0.9992000    
 C   -3.285900       2.351000      0.1963000    
 C   -3.028400       1.603100       1.471700    
 C    3.518100      -2.105800       1.159600    
 C    3.127400      -1.630600      -1.248600    
 C    2.313300       1.511600      -1.606200    
 C    2.296800       2.611500      0.6229000    
 H   0.3664000     -0.6852000      -1.367100    
 H    2.767100      0.2891000       1.529100    
 H   0.9888000      -1.510100       1.495000    
 H   0.9629000      -2.566300      0.1078000    
 H  -1.9200001E-02   1.579500     -0.4226000    
 H   0.3355000      0.9875000       1.206800    
 H   -3.454200      -2.456700      -1.139800    
 H   -5.125900      -2.183400     -0.4411000    
 H   -4.123500      -1.961800       1.850500    
 H   -2.479000      -2.296200       1.152300    
 H   -4.132000       2.058400     -0.4099000    
 H   -3.027600       3.400700      0.1632000    
 H   -2.584000       2.155300       2.292300    
 H   -3.773300      0.8946000       1.795800    
 H    3.305700      -1.833400       2.199800    
 H    3.289400      -3.170700       1.038800    
 H    4.595100      -1.977200       1.003800    
 H    4.137100      -1.274900      -1.478400    
 H    3.129700      -2.721000      -1.366200    
 H    2.458600      -1.248200      -2.019100    
 H    3.382100       1.625000      -1.814300    
 H    1.934600      0.7112000      -2.241600    
 H    1.815000       2.427000      -1.947800    
 H    2.185100       2.496600       1.707200    
 H    3.310300       2.985400      0.4386000    
 H    1.592500       3.384100      0.2939000    


%chk=000102420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102420

0 1
S -2.165656 -0.195405 -2.462071
P -2.359346 -0.079168 -0.399700
O -0.996472 -0.610756 0.541326
O 4.564137 0.439683 0.018456
N 3.240801 0.262743 0.459092
N -3.602083 -1.099974 0.412298
N -2.605175 1.571130 0.207594
C 2.762541 -1.256072 0.295980
C 2.262228 1.381264 -0.130666
C 0.375071 -0.358081 0.006743
C 1.275432 -1.374087 0.714930
C 0.812672 1.078608 0.325024
C -4.633093 -1.794273 -0.465256
C -3.537959 -2.602196 0.197598
C -3.987389 2.183756 0.251439
C -3.275938 1.818061 1.545208
C 3.663495 -2.036518 1.276762
C 3.052565 -1.712556 -1.144282
C 2.445068 1.451294 -1.656748
C 2.767686 2.692149 0.508639
H 0.349356 -0.529898 -1.086953
H 3.171132 0.417412 1.497797
H 1.173096 -1.225096 1.809174
H 0.929841 -2.401022 0.496000
H 0.130742 1.802133 -0.159030
H 0.718406 1.233803 1.419948
H -4.552400 -1.636531 -1.549481
H -5.643978 -1.790562 -0.047367
H -3.745712 -3.184494 1.099952
H -2.740144 -2.992389 -0.446086
H -4.844738 1.565019 -0.040158
H -4.025332 3.223736 -0.084338
H -2.789442 2.597205 2.139794
H -3.645753 0.944957 2.093688
H 3.539803 -1.678395 2.318354
H 3.405979 -3.110156 1.256235
H 4.718217 -1.903183 0.984434
H 4.002957 -1.238274 -1.451634
H 3.174396 -2.809795 -1.169882
H 2.258208 -1.443182 -1.859460
H 3.521736 1.316897 -1.867704
H 1.864378 0.693669 -2.207005
H 2.127717 2.444062 -2.020933
H 2.722845 2.651139 1.615372
H 3.814523 2.863184 0.207625
H 2.142882 3.539559 0.176291


