%chk=000160828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160828

0 1
 S    4.684500      -4.654900     -0.7059000    
 S    3.454900       5.546700      0.3321000    
 O   0.8396000     -0.8546000       1.650400    
 O    1.097800      0.2672000     -0.8297000    
 O   -4.185300      -1.310800       2.358500    
 O   -3.680700      0.8783000      -2.488900    
 O    4.847700      -4.187500      -2.263900    
 O    4.267500       5.352400       1.737200    
 O    5.973800      -4.446900     -6.2899999E-02
 O    4.050800      -5.964100     -0.6912000    
 O    4.445600       5.832700     -0.6953000    
 O    2.349800       6.461600      0.5721000    
 N   -1.618600      -1.410500       2.734400    
 N   -1.087500      0.8958000      -2.364500    
 C   -2.689900     -0.5236000      0.6950000    
 C   -2.558000      4.8999999E-02 -0.5718000    
 C   -1.548200     -0.8291000       1.445500    
 C   -1.284500      0.3164000      -1.087900    
 C   -5.223800     -0.4829000      0.4496000    
 C   -5.092000      8.9800000E-02 -0.8172000    
 C   -4.027700     -0.8103000       1.252100    
 C   -3.754400      0.3762000      -1.374400    
 C  -0.2809000     -0.5611000      0.9273000    
 C  -0.1494000      1.0400000E-02 -0.3366000    
 C   -6.497600     -0.7495000      0.9663000    
 C   -6.233800      0.3957000      -1.567400    
 C   -7.632600     -0.4427000      0.2154000    
 C   -7.501100      0.1285000      -1.048700    
 C    1.741200      -1.746000       1.098600    
 C    1.650200       1.505400     -0.5580000    
 C    1.270100      -2.909800      0.5156000    
 C   0.9274000       2.418200      0.1907000    
 C    3.093500      -1.453600       1.141500    
 C    2.913100       1.803000      -1.040400    
 C    3.545800      -3.530600     -6.8000001E-03
 C    2.755900       3.984100     -1.3100000E-02
 C    2.179400      -3.809100     -4.1299999E-02
 C    1.484500       3.667200      0.4651000    
 C    4.002800      -2.352700      0.5844000    
 C    3.470200       3.051900     -0.7657000    
 H   -6.629800      -1.194300       1.948900    
 H   -6.160900      0.8416000      -2.555700    
 H  -0.7637000      -1.614900       3.235700    
 H   -2.507600      -1.628500       3.160400    
 H  -0.1478000       1.046500      -2.707200    
 H   -1.872000       1.135100      -2.953400    
 H   -8.620500     -0.6496000      0.6168000    
 H   -8.386600      0.3662000      -1.631300    
 H   0.2134000      -3.158400      0.4904000    
 H  -6.2199999E-02   2.241600      0.5963000    
 H    3.450800     -0.5365000       1.600200    
 H    3.471000       1.077200      -1.624400    
 H    1.799600      -4.717700     -0.5000000    
 H   0.9136000       4.374400       1.060400    
 H    5.061400      -2.111200      0.6158000    
 H    4.465000       3.273700      -1.141800    
 H    5.208800      -3.279500      -2.397400    
 H    5.005000       4.698200       1.712200    


%chk=000160828-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160828

0 1
S 5.586420 -2.664622 -0.416069
S 5.147845 3.415645 0.604057
O 0.335512 -0.388380 1.449117
O 0.329842 0.453381 -1.455353
O -4.568442 -1.152757 2.547635
O -4.590993 0.541942 -2.730480
O 5.845688 -1.241865 -1.606518
O 5.523129 2.056590 1.837125
O 6.723062 -2.570695 0.729780
O 5.382180 -4.020378 -1.272899
O 6.342520 3.448613 -0.484782
O 4.732906 4.747436 1.421112
N -1.983215 -1.000259 2.627180
N -2.007204 0.745675 -2.717425
C -3.288871 -0.436828 0.619860
C -3.294719 0.003710 -0.756633
C -2.047837 -0.582133 1.323877
C -2.060982 0.319813 -1.416072
C -5.817763 -0.607743 0.565090
C -5.823507 -0.174302 -0.792364
C -4.544224 -0.753240 1.314022
C -4.556135 0.146433 -1.495885
C -0.815178 -0.288381 0.632344
C -0.825072 0.195980 -0.680201
C -7.044241 -0.907119 1.212264
C -7.055704 -0.044807 -1.483526
C -8.261734 -0.776278 0.519054
C -8.267550 -0.343461 -0.833771
C 1.526598 -1.014613 1.006189
C 1.406559 1.236738 -0.971694
C 1.540981 -2.005507 -0.001091
C 1.247639 2.220588 0.030326
C 2.702599 -0.590629 1.664858
C 2.653689 0.976843 -1.582966
C 3.944734 -2.050919 0.211754
C 3.630014 2.588389 -0.087664
C 2.782145 -2.532189 -0.413050
C 2.389185 2.910162 0.487263
C 3.945069 -1.104966 1.251573
C 3.798825 1.651658 -1.121977
H -7.008324 -1.238325 2.254399
H -7.028339 0.290602 -2.524573
H -1.080143 -1.063323 3.092734
H -2.894555 -1.206056 3.076095
H -1.104954 0.934482 -3.149291
H -2.920908 0.824191 -3.200336
H -9.206462 -1.008287 1.022353
H -9.216747 -0.242702 -1.370894
H 0.611560 -2.342027 -0.468740
H 0.264054 2.428793 0.460506
H 2.643718 0.170301 2.446947
H 2.728023 0.216162 -2.363879
H 2.845846 -3.293043 -1.197182
H 2.318126 3.673642 1.268224
H 4.875507 -0.752729 1.706023
H 4.786006 1.426303 -1.535395
H 6.763294 -1.341014 -1.994916
H 6.398128 2.279605 2.269964


