%chk=000133212.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133212

0 1
 S    1.419100      -1.494000      0.5703000    
 O    5.313200      -2.065800     -0.5386000    
 O    2.402600       2.483100      -1.408900    
 O    6.339700      0.5656000      0.3792000    
 O    4.705800      0.4697000       1.965900    
 O   -1.747300       1.326800       1.296500    
 O   -6.190400      -2.260200      0.3181000    
 O   -6.966700     -0.5601000       1.601400    
 N    2.907100      0.6543000     -2.5000000E-02
 N  -0.2051000      0.8697000     -0.3745000    
 N   -6.973000       1.195700     -0.4684000    
 C    1.925100      0.2122000      0.9530000    
 C    4.167800      4.5499999E-02 -0.3538000    
 C   0.9908000       1.298900      0.3730000    
 C    4.009900      -1.470100     -0.6023000    
 C    2.182900       1.669000     -0.5426000    
 C    3.114700      -2.169700      0.4484000    
 C    3.488800      -1.715100      -2.028900    
 C    5.065500      0.3774000      0.8016000    
 C   -1.483700      0.9247000      0.1663000    
 C   -2.530000      0.3983000     -0.8018000    
 C   -3.954800      0.4400000     -0.2476000    
 C   -4.984000     -9.1499999E-02  -1.257600    
 C   -6.431200     -0.1349000     -0.7425000    
 C   -6.566800     -0.9693000      0.5190000    
 H    2.216200      0.3842000       1.992900    
 H    4.560800      0.5556000      -1.242500    
 H   0.7635000       2.105500       1.081300    
 H    3.582600      -2.117400       1.438600    
 H    3.034400      -3.238700      0.2186000    
 H    3.379700      -2.788200      -2.224200    
 H    2.525200      -1.231200      -2.214400    
 H    4.205200      -1.341500      -2.770200    
 H  -0.1019000      0.5068000      -1.319500    
 H    5.215800      -3.019700     -0.7014000    
 H   -2.473500      0.9965000      -1.719300    
 H   -2.263700     -0.6341000      -1.059300    
 H   -4.205600       1.470900      3.0099999E-02
 H   -3.992400     -0.1513000      0.6751000    
 H    6.943000      0.7846000       1.121000    
 H   -4.943400      0.5210000      -2.167600    
 H   -4.685100      -1.104300      -1.557900    
 H   -7.067100     -0.5978000      -1.506800    
 H   -6.905100       1.771000      -1.307000    
 H   -7.966700       1.123700     -0.2523000    
 H   -6.278900      -2.797500       1.134000    


%chk=000133212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133212

0 1
S 2.006784 -2.253308 -0.089046
O 5.901377 -1.022190 -1.091411
O 1.603316 2.177017 -0.823049
O 6.076588 1.324575 1.012674
O 5.050447 -0.481957 2.049529
O -1.884165 0.296637 1.800086
O -7.557900 -0.573256 1.011157
O -7.129865 1.706852 0.885941
N 2.805636 0.396017 0.312863
N -0.430179 -0.288569 0.079855
N -6.285359 1.430707 -1.863517
C 2.006880 -0.665230 0.961316
C 4.194175 0.336840 -0.130684
C 0.733181 0.247723 0.738194
C 4.423787 -0.925499 -1.040186
C 1.699692 1.179260 -0.087538
C 3.892470 -2.222981 -0.373557
C 3.844886 -0.690252 -2.445450
C 5.130896 0.311964 1.085508
C -1.697993 -0.228658 0.663289
C -2.826466 -0.851033 -0.158495
C -4.070864 0.067451 -0.221748
C -5.255573 -0.642653 -0.909341
C -6.533282 0.239359 -1.044988
C -7.089083 0.575886 0.355780
H 2.302670 -0.912240 1.989720
H 4.409457 1.243468 -0.719810
H 0.390023 0.720783 1.675542
H 4.382323 -2.375486 0.601367
H 4.088106 -3.093058 -1.024636
H 3.982978 -1.588879 -3.076673
H 2.763540 -0.478341 -2.404542
H 4.354454 0.162094 -2.926671
H -0.318239 -0.721960 -0.838649
H 6.161739 -1.712616 -1.753069
H -2.484777 -1.106093 -1.180559
H -3.108808 -1.802287 0.336290
H -3.807995 0.989984 -0.774342
H -4.329765 0.368302 0.810678
H 6.684434 1.276206 1.800712
H -4.971011 -0.937100 -1.936996
H -5.518977 -1.560771 -0.349908
H -7.298422 -0.380719 -1.548485
H -7.139153 1.850772 -2.244556
H -5.720848 2.139251 -1.381461
H -7.888117 -0.327712 1.918265


