%chk=000005393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005393

0 1
 S    3.229500      -1.524900      -1.722000    
 S    6.759500      0.3145000      -1.079000    
 O   0.1279000       1.964200      -1.074500    
 O   -1.629200      -1.981000       1.481800    
 O   -1.349400      -3.001200     -0.5663000    
 O    1.338200       2.337800       2.186600    
 O    2.172000       4.427400       1.893100    
 N    2.159600       1.411500     -0.1204000    
 N  -0.6561000     -0.5005000      -1.553600    
 C   0.7425000     -0.3681000      -1.122700    
 C    4.001300     -9.3099996E-02 -0.8656000    
 C    1.655300     -0.7931000      -2.276100    
 C    3.147300      0.4141000      0.3062000    
 C   -1.537600     -0.5721000     -0.4020000    
 C   0.9628000       1.106400     -0.7711000    
 C   -2.983800     -0.2022000     -0.7692000    
 C    2.501200       2.804400      0.1461000    
 C    5.400900     -0.4848000     -0.4100000    
 C   -3.982400     -0.2250000      0.3966000    
 C   -1.492600      -1.998300      0.1210000    
 C   -5.376400      0.2021000      1.1700000E-02
 C    5.765800      -1.440900      0.5122000    
 C    1.998500       3.286500       1.482500    
 C    7.179500      -1.518000      0.6717000    
 C    7.841100     -0.6182000     -0.1345000    
 C   -5.742000       1.545700      9.4599999E-02
 C   -6.300200     -0.7463000     -0.4276000    
 C   -1.597200      -3.260500       2.121900    
 C   -7.031400       1.941000     -0.2616000    
 C   -7.589600     -0.3508000     -0.7839000    
 C   -7.955100      0.9928000     -0.7008000    
 C   -1.760000      -3.069200       3.614800    
 H   0.9118000      -1.002900     -0.2473000    
 H    4.089300      0.7000000      -1.619500    
 H    1.174500      -1.579200      -2.870100    
 H    1.869300      3.6400001E-02  -2.959700    
 H    2.637500     -0.4048000      0.8259000    
 H    3.781100      0.8874000       1.067700    
 H   -1.208200      0.1118000      0.3909000    
 H  -0.9070000      0.2754000      -2.165300    
 H   -3.347300     -0.8817000      -1.553000    
 H   -2.988600      0.8028000      -1.213300    
 H    3.587900       2.927000      9.9100001E-02
 H    2.041900       3.436200     -0.6216000    
 H   -3.617700      0.4217000       1.205200    
 H   -4.040700      -1.231700      0.8277000    
 H    5.058400      -2.057200       1.052500    
 H    7.685500      -2.198500       1.344200    
 H    8.907900     -0.4639000     -0.2140000    
 H   -5.030300       2.294000      0.4334000    
 H   -6.026700      -1.795700     -0.4985000    
 H  -0.6389000      -3.749100       1.913400    
 H   -2.414000      -3.881300       1.737200    
 H   -7.315900       2.987100     -0.1977000    
 H   -8.308900      -1.089000      -1.126600    
 H   -8.958900       1.300700     -0.9786000    
 H    1.022100       2.675700       3.051500    
 H  -0.9603000      -2.434900       4.011300    
 H   -2.705900      -2.564300       3.837300    
 H   -1.740700      -4.029900       4.136900    


%chk=000005393-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005393

0 1
S 3.034679 -1.705547 -1.236814
S 6.737221 -0.274330 -0.625742
O 0.010638 2.031354 -1.281512
O -0.793892 -2.250848 1.149166
O -2.818159 -2.863220 0.173906
O 1.424621 2.819255 2.175203
O 2.530016 4.771627 1.565995
N 1.987874 1.546555 -0.163897
N -0.926988 -0.546649 -1.288466
C 0.483121 -0.348930 -0.906256
C 3.867232 -0.132312 -0.502662
C 1.423123 -1.010476 -1.951545
C 2.927800 0.612838 0.490354
C -1.906275 -0.558157 -0.158512
C 0.800643 1.167748 -0.779956
C -3.296348 -0.122065 -0.659223
C 2.297506 2.978457 -0.099107
C 5.135408 -0.591283 0.155876
C -4.336509 0.029936 0.483354
C -1.940718 -1.998625 0.386904
C -5.706403 0.427594 -0.047895
C 5.305762 -1.280255 1.351699
C 2.118686 3.630340 1.271732
C 6.683054 -1.558229 1.677380
C 7.578937 -1.089023 0.730065
C -6.130465 1.780892 -0.048271
C -6.575427 -0.554179 -0.592362
C -0.594849 -3.658900 1.619677
C -7.389375 2.147128 -0.577918
C -7.834491 -0.193521 -1.121425
C -8.246405 1.160164 -1.116695
C 0.833219 -3.748523 2.150058
H 0.637853 -0.862426 0.058564
H 4.088322 0.535577 -1.354765
H 0.910654 -1.906387 -2.339151
H 1.657144 -0.338832 -2.795617
H 2.380363 -0.118759 1.110648
H 3.555256 1.206822 1.177809
H -1.586964 0.118772 0.667720
H -1.208986 0.163085 -1.982229
H -3.663004 -0.862372 -1.393594
H -3.188816 0.849043 -1.181186
H 3.333055 3.183413 -0.426537
H 1.611170 3.496303 -0.796494
H -3.973005 0.789096 1.203611
H -4.411521 -0.933207 1.021938
H 4.466072 -1.595004 1.977122
H 6.995966 -2.089861 2.579037
H 8.665122 -1.156448 0.715586
H -5.470941 2.551421 0.370998
H -6.260769 -1.605458 -0.594769
H -0.776875 -4.337781 0.767735
H -1.352169 -3.867816 2.396899
H -7.701618 3.197858 -0.567663
H -8.494865 -0.965124 -1.533880
H -9.223817 1.441186 -1.525055
H 1.304709 3.315723 3.030401
H 1.562498 -3.509370 1.355816
H 0.985609 -3.051747 2.992870
H 1.033423 -4.774224 2.509975


