%chk=000097146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097146

0 1
 S   -3.305300     -0.9156000       2.002800    
 S    2.936000       2.050500       1.175300    
 O   -2.830900      -2.626800     -0.5454000    
 O   0.4120000       1.275000     -0.4601000    
 O   -4.417700      -1.802600       1.722100    
 O   -3.020900     -0.5006000       3.362800    
 O    4.075100       2.897400       1.472100    
 O    1.707500       2.177300       1.935100    
 N  -0.5408000      -2.713600     -0.2353000    
 N    1.339100       1.931300      -2.474600    
 N   -1.883000      -1.550200       1.297900    
 N    2.578900       2.146000     -0.4938000    
 C   0.1276000      -1.453200      -2.860900    
 C    1.087200     -0.7640000      -3.834200    
 C   0.7072000      -2.780600      -2.360200    
 C   0.5552000      0.5685000      -4.374300    
 C  -0.2306000      -3.501200      -1.396600    
 C   0.2144000       1.604200      -3.306800    
 C   -1.830000      -2.334700      0.1021000    
 C    1.349300       1.739000      -1.102500    
 C   -3.524500      0.5591000       1.053600    
 C    3.451800      0.3657000       1.315000    
 C   -4.279800      0.5284000     -0.1188000    
 C    4.795300      3.1199999E-02   1.145200    
 C   -2.941900       1.754000       1.476600    
 C    2.515200     -0.6295000       1.594900    
 C   -4.452300       1.692000     -0.8683000    
 C    5.202300      -1.298500       1.255000    
 C   -3.114600       2.917600      0.7272000    
 C    2.922300      -1.959200       1.704700    
 C   -3.869800       2.886600     -0.4453000    
 C    4.265900      -2.293600       1.534700    
 H  -0.8319000      -1.635500      -3.359600    
 H  -7.0799999E-02 -0.8031000      -2.005600    
 H    1.281400      -1.429300      -4.684600    
 H    2.053400     -0.5998000      -3.341700    
 H    1.662900      -2.587000      -1.856800    
 H   0.9189000      -3.438600      -3.211200    
 H    1.310200      0.9865000      -5.052100    
 H  -0.3395000      0.3800000      -4.980000    
 H   -1.150100      -3.792300      -1.915500    
 H   0.2500000      -4.418100      -1.039000    
 H  -0.6353000       1.277900      -2.698800    
 H  -8.8799998E-02   2.534900      -3.799100    
 H   0.2193000      -2.443500      0.3807000    
 H    2.155100       2.349800      -2.910500    
 H   -1.001200      -1.384500       1.799100    
 H    3.295200       2.565700      -1.099700    
 H   -4.739000     -0.3917000     -0.4686000    
 H    5.539400      0.7899000      0.9203000    
 H   -2.342500       1.799700       2.381400    
 H    1.463000     -0.3941000       1.725900    
 H   -5.038800       1.667700      -1.782000    
 H    6.248100      -1.559400       1.121000    
 H   -2.658700       3.847400       1.054700    
 H    2.193500      -2.734600       1.921600    
 H   -4.003000       3.792400      -1.029500    
 H    4.582500      -3.329000       1.619300    


%chk=000097146-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097146

0 1
S -1.861687 0.086583 1.815372
S 3.730541 1.665929 1.120830
O -2.295025 -2.173793 -0.345695
O 1.361635 0.796363 -0.944485
O -1.788129 -1.233180 2.758630
O -1.102772 1.450301 2.296295
O 5.341885 1.848427 1.226926
O 2.716367 2.828155 1.599440
N -0.181717 -1.760862 -1.281055
N 2.382559 1.956029 -2.705944
N -1.079058 -0.226281 0.210999
N 3.594093 1.471264 -0.755675
C 0.554045 -1.271635 -4.151662
C 1.842094 -0.514774 -4.562630
C 0.819613 -2.591327 -3.375715
C 1.594024 0.975582 -4.899977
C -0.222465 -2.855129 -2.265738
C 1.259431 1.842364 -3.658518
C -1.251510 -1.461773 -0.463454
C 2.376436 1.390360 -1.442186
C -3.664822 0.515981 1.438261
C 3.204661 0.007906 1.834106
C -4.542893 -0.504521 1.041720
C 4.171157 -1.011106 1.856276
C -4.026338 1.859368 1.624507
C 1.901565 -0.099975 2.341153
C -5.890378 -0.134879 0.819256
C 3.780259 -2.247262 2.419483
C -5.379837 2.200753 1.396073
C 1.533561 -1.352701 2.890850
C -6.304720 1.207097 0.997093
C 2.467927 -2.414489 2.924709
H -0.060467 -1.474042 -5.050566
H -0.057609 -0.613173 -3.505809
H 2.315625 -1.016837 -5.429098
H 2.579286 -0.570941 -3.735474
H 1.825178 -2.549100 -2.907847
H 0.835583 -3.459914 -4.060018
H 2.480816 1.402825 -5.411008
H 0.749424 1.065456 -5.612763
H -1.246367 -2.915847 -2.680224
H -0.019569 -3.826001 -1.771409
H 0.410424 1.421384 -3.095559
H 0.969426 2.861501 -3.978328
H 0.639687 -1.145066 -1.247395
H 3.194766 2.502505 -2.998320
H -0.253208 0.374692 0.029004
H 4.434183 1.893049 -1.173822
H -4.178562 -1.523978 0.880868
H 5.181582 -0.841865 1.471586
H -3.280331 2.594859 1.942656
H 1.198528 0.742290 2.324420
H -6.610085 -0.897085 0.503613
H 4.499475 -3.071684 2.463263
H -5.706185 3.236875 1.532910
H 0.512796 -1.488193 3.265225
H -7.351671 1.479620 0.824208
H 2.170274 -3.378803 3.350338


