%chk=000064541.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064541

0 1
 S    4.755200     -0.2610000     -0.9897000    
 P    5.842000       1.130300      0.1357000    
 O    7.051000       1.709400     -0.7784000    
 O    4.940500       2.460600      0.3594000    
 O    6.326900      0.5323000       1.428400    
 N   -2.149000      -1.796800     -0.4631000    
 N    1.357100      -2.121000      0.2163000    
 C   -2.671100     -0.4500000     -0.2391000    
 C   -2.049600       1.990500     -1.4000000E-02
 C   -3.950900       1.046100       1.346600    
 C   -4.208300       1.341200      -1.144100    
 C   -1.507600      0.5671000     -0.2388000    
 C   -3.404200     -0.3751000       1.118200    
 C   -3.660900     -8.0700003E-02  -1.365700    
 C   -2.781800       2.045700       1.337600    
 C   -3.037800       2.339400      -1.140000    
 C   -4.928900       1.400300      0.2136000    
 C   -1.599400      -2.347800      0.7660000    
 C  -0.6721000      -3.522500      0.4497000    
 C   0.5177000      -3.124800     -0.4264000    
 C    2.475000      -1.752100     -0.6408000    
 C    3.356000     -0.7313000      6.8499997E-02
 H   -1.220200       2.706600     -1.5600000E-02
 H   -4.470700       1.093000       2.310200    
 H   -4.909300       1.596500      -1.946500    
 H  -0.7711000      0.3481000      0.5431000    
 H  -0.9671000      0.5279000      -1.194100    
 H   -4.235800      -1.092000       1.149400    
 H   -2.759700     -0.5895000       1.978000    
 H   -3.166200     -0.1352000      -2.344600    
 H   -4.496500     -0.7927000      -1.394200    
 H   -2.083800       1.814300       2.151500    
 H   -3.156300       3.060800       1.518700    
 H   -3.416700       3.359500      -1.002400    
 H   -2.524300       2.318400      -2.109000    
 H   -5.776300      0.7038000      0.2187000    
 H   -5.340900       2.404000      0.3751000    
 H   -2.886000      -2.414700     -0.8020000    
 H   -2.400600      -2.732500       1.409200    
 H   -1.015900      -1.627400       1.348200    
 H   -1.238000      -4.314700     -5.7300001E-02
 H  -0.3091000      -3.954600       1.391000    
 H    1.108400      -4.028200     -0.6243000    
 H   0.1599000      -2.759100      -1.396100    
 H    1.703200      -2.480800       1.105400    
 H    3.066000      -2.643000     -0.8884000    
 H    2.094300      -1.324300      -1.576700    
 H    2.786500      0.1725000      0.3105000    
 H    3.754000      -1.141400       1.002800    
 H    7.725200       2.285500     -0.3591000    
 H    5.271200       3.158500      0.9644000    


%chk=000064541-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064541

0 1
S 3.830436 1.644641 -0.261632
P 5.815026 0.725374 0.311487
O 6.816341 0.523517 -1.100932
O 6.658990 2.099390 0.903277
O 5.701858 -0.574900 1.224309
N -2.051729 -1.852597 -0.280870
N 1.697364 -1.906552 0.313673
C -2.696332 -0.517831 -0.120513
C -2.279560 2.001444 -0.035349
C -4.239510 1.013539 1.237898
C -4.286378 1.104107 -1.295951
C -1.613332 0.600762 -0.105929
C -3.572071 -0.387975 1.168452
C -3.611563 -0.291830 -1.356895
C -3.135734 2.106110 1.255986
C -3.189542 2.203426 -1.276885
C -5.146372 1.212184 -0.007097
C -1.271587 -2.407765 0.849931
C -0.251964 -3.455850 0.350102
C 0.861356 -2.813770 -0.504804
C 2.549566 -0.934536 -0.387931
C 2.737213 0.289216 0.525493
H -1.491890 2.780891 -0.022239
H -4.851101 1.086427 2.159475
H -4.931577 1.236555 -2.187016
H -0.934950 0.464682 0.759910
H -0.999415 0.503826 -1.022927
H -4.349179 -1.181057 1.162960
H -2.942630 -0.550864 2.066113
H -3.002061 -0.391698 -2.276716
H -4.389539 -1.085216 -1.388225
H -2.491606 1.979702 2.149714
H -3.597658 3.111529 1.324876
H -3.659353 3.207134 -1.245415
H -2.583354 2.152811 -2.203679
H -5.947248 0.445359 -0.019033
H -5.640937 2.203273 0.036363
H -2.732479 -2.541076 -0.635565
H -1.909938 -2.862392 1.643894
H -0.697358 -1.589293 1.318294
H -0.768228 -4.228876 -0.254773
H 0.194407 -3.978819 1.221842
H 1.456732 -3.612102 -1.010152
H 0.371862 -2.209624 -1.291351
H 2.199613 -2.398626 1.063662
H 3.549686 -1.336003 -0.678568
H 2.037197 -0.627399 -1.317755
H 1.774756 0.790264 0.721097
H 3.209747 0.010196 1.481910
H 6.699321 -0.333287 -1.584328
H 7.628705 2.092682 0.687614


