%chk=000104867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104867

0 1
 S    3.990000     -0.6039000       1.057200    
 O   -3.913000     -8.8299997E-02   1.584100    
 O   -1.422700      -1.714000       1.875800    
 O   -3.122800      -2.844700      0.8801000    
 O    4.822000       2.658400      0.4148000    
 O    7.067500       2.472500      0.6783000    
 N   -2.656500      0.1099000     -0.3716000    
 N    7.131600      0.5076000      -1.241800    
 C   -5.397100       1.975600     -0.5701000    
 C   -4.175100       1.860000      0.2933000    
 C   -5.499600       2.203200      0.9095000    
 C   -5.977900      0.7183000      -1.118900    
 C   -5.551300       3.157600      -1.464300    
 C   -3.572800      0.5234000      0.5777000    
 C   -1.987900      -1.079100     -0.3062000    
 C   -1.095900      -1.487600      -1.224600    
 C  -0.3188000      -2.777400      -1.232700    
 C   -2.261900      -1.978800      0.8456000    
 C    1.195400      -2.556600      -1.331300    
 C    1.822500      -1.782500     -0.1642000    
 C    3.312800      -1.516000     -0.3607000    
 C    5.701800     -0.4759000      0.4919000    
 C    5.899700      0.6948000     -0.4728000    
 C    6.010100       2.023700      0.2509000    
 H   -3.449900       2.667600      0.2418000    
 H   -5.633700       3.216300       1.272900    
 H   -6.018100       1.464900       1.510100    
 H   -7.010200      0.8850000      -1.446700    
 H   -6.007200     -9.9799998E-02 -0.3910000    
 H   -5.403500      0.3762000      -1.986700    
 H   -5.096300       4.059600      -1.040100    
 H   -6.610300       3.373400      -1.641800    
 H   -5.073800       2.971900      -2.432400    
 H   -2.463100      0.7156000      -1.165300    
 H  -0.9053000     -0.8341000      -2.075500    
 H  -0.6434000      -3.360700      -2.103000    
 H  -0.5278000      -3.393700     -0.3523000    
 H    1.417200      -2.029000      -2.268300    
 H    1.683400      -3.536500      -1.407800    
 H    1.302100     -0.8243000     -4.4300001E-02
 H    1.660500      -2.353400      0.7591000    
 H    3.465000     -0.9344000      -1.275000    
 H    3.846900      -2.466500     -0.4617000    
 H   -1.589700      -2.299700       2.644800    
 H    6.334600     -0.3486000       1.378100    
 H    5.987400      -1.430200      3.4899998E-02
 H    5.085700      0.7648000      -1.203200    
 H    7.080900     -0.3675000      -1.762300    
 H    7.215500       1.246400      -1.939400    
 H    4.923200       3.505200      0.8994000    


%chk=000104867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104867

0 1
S 4.226364 -0.255877 1.025366
O -4.809190 -0.897031 0.284274
O -2.772829 -1.640820 2.286877
O -2.304489 -3.495818 0.967496
O 5.153768 2.169316 -1.636313
O 6.470408 2.648561 0.220525
N -2.680453 0.018456 0.093037
N 7.913404 0.200894 -0.899441
C -5.773445 2.040822 -0.531144
C -4.570551 1.537812 0.347381
C -5.971924 1.770521 0.954830
C -6.407897 1.097064 -1.549493
C -5.685954 3.497625 -0.987436
C -4.068232 0.132952 0.247822
C -2.009081 -1.241526 0.047211
C -1.022089 -1.478934 -0.869437
C -0.136444 -2.694452 -0.999754
C -2.384106 -2.249976 1.087631
C 1.343528 -2.328458 -1.290411
C 2.021970 -1.583399 -0.115769
C 3.493415 -1.253393 -0.416411
C 6.062642 -0.393030 0.607613
C 6.462482 0.337722 -0.692139
C 6.037741 1.816411 -0.607581
H -3.808025 2.295661 0.565340
H -6.088372 2.614163 1.642419
H -6.504821 0.857014 1.236598
H -7.455686 1.399303 -1.737455
H -6.404218 0.053897 -1.193265
H -5.866749 1.136078 -2.514213
H -5.218296 4.142946 -0.221018
H -6.698438 3.895598 -1.190576
H -5.095948 3.587064 -1.919289
H -2.125552 0.869162 -0.012938
H -0.835767 -0.681129 -1.607258
H -0.521250 -3.305931 -1.843428
H -0.215092 -3.338976 -0.107992
H 1.400712 -1.705179 -2.207428
H 1.902353 -3.260411 -1.507851
H 1.467778 -0.647397 0.097188
H 1.961122 -2.201080 0.801374
H 3.581332 -0.651477 -1.338201
H 4.093775 -2.175509 -0.523442
H -3.078976 -2.348323 2.915211
H 6.580371 0.055948 1.473330
H 6.343310 -1.455560 0.526126
H 5.942437 -0.118971 -1.549814
H 8.232106 0.363377 -1.858774
H 8.477986 0.699560 -0.203272
H 4.915071 3.133430 -1.551808


