%chk=000050303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050303

0 1
 S    2.586100       3.347300     -0.4637000    
 F    5.329000       3.407400      -1.568400    
 O   -6.799500      8.6700000E-02  -2.835000    
 O   -1.360500       2.361900       2.013400    
 N   -5.824700     -9.6000001E-02 -0.1670000    
 N    1.367100     -0.8013000      0.4611000    
 N   -2.162600      0.2052000       2.160000    
 N   0.1485000     -0.6857000       1.018000    
 C   -4.784600     -0.3957000      0.8148000    
 C   -5.395000      0.9804000      -1.070400    
 C   -6.171600      -1.295400     -0.9422000    
 C   -4.505300      0.8335000       1.681300    
 C   -6.491300       1.266900      -2.092400    
 C   -7.249000     -0.9554000      -1.968200    
 C   -3.436600      0.5687000       2.737900    
 C    1.161700       1.349800      0.8017000    
 C    2.019100      0.3899000      0.3060000    
 C   2.9100001E-02  0.6279000       1.227400    
 C    3.331800      0.6175000     -0.2799000    
 C    1.459800       2.795700      0.8742000    
 C   -1.172200       1.142600       1.821800    
 C    3.698700       1.934600     -0.6355000    
 C    1.828100      -2.102500      0.2514000    
 C    4.236200     -0.4320000     -0.4932000    
 C    4.957300       2.169900      -1.207000    
 C    5.488900     -0.1809000      -1.054000    
 C    5.848500       1.116300      -1.410000    
 C    2.425000      -2.793400       1.297200    
 C    1.679700      -2.687900     -0.9986000    
 C    2.882600      -4.094400       1.088900    
 C    2.137300      -3.989000      -1.206700    
 C    2.738700      -4.692300     -0.1630000    
 H   -3.867300     -0.7347000      0.3170000    
 H   -5.120100      -1.210900       1.468200    
 H   -5.226000       1.924600     -0.5474000    
 H   -4.470400      0.6998000      -1.591400    
 H   -5.284800      -1.683200      -1.460200    
 H   -6.548900      -2.081900     -0.2787000    
 H   -5.427200       1.154900       2.181600    
 H   -4.142300       1.677700       1.087900    
 H   -7.402500       1.646700      -1.614200    
 H   -6.149700       2.026100      -2.803400    
 H   -7.464600      -1.832600      -2.586600    
 H   -8.185900     -0.6515000      -1.485600    
 H   -3.305600       1.458700       3.362900    
 H   -3.742000     -0.2557000       3.391100    
 H   0.5534000       3.400200      0.7885000    
 H    1.930900       3.028600       1.835000    
 H   -1.985400     -0.7796000       1.983200    
 H    4.068300      -1.457200     -0.2131000    
 H    6.189000     -0.9975000      -1.206200    
 H    6.823700       1.308300      -1.847800    
 H    2.543600      -2.338700       2.277400    
 H    1.212300      -2.150100      -1.819500    
 H    3.351300      -4.641900       1.901400    
 H    2.025500      -4.454600      -2.181500    
 H    3.095200      -5.705300     -0.3252000    


%chk=000050303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050303

0 1
S 2.581521 3.284532 -0.813157
F 5.385141 3.434766 -1.803390
O -7.304769 -0.295239 -2.698513
O -1.263829 2.539425 1.962218
N -5.933398 -0.077671 -0.136183
N 1.550517 -0.828030 0.557889
N -2.071611 0.350236 2.153577
N 0.286085 -0.657320 1.118238
C -4.832781 -0.290820 0.837000
C -5.521473 0.740758 -1.308789
C -6.516180 -1.364800 -0.601961
C -4.457875 0.987388 1.613280
C -6.723149 0.976809 -2.237453
C -7.709660 -1.097950 -1.532635
C -3.381447 0.741881 2.698239
C 1.298630 1.393839 0.795156
C 2.201344 0.400699 0.365435
C 0.143248 0.699938 1.257575
C 3.558413 0.657755 -0.131886
C 1.595874 2.859636 0.762801
C -1.111281 1.280818 1.816676
C 3.828419 1.949195 -0.698012
C 1.928878 -2.159956 0.161298
C 4.616615 -0.288615 -0.040327
C 5.119979 2.184196 -1.213132
C 5.897565 -0.003436 -0.552326
C 6.159082 1.243474 -1.162986
C 1.729282 -3.225283 1.069222
C 2.433652 -2.400046 -1.138210
C 2.059199 -4.540324 0.676813
C 2.768649 -3.717816 -1.516533
C 2.584627 -4.790436 -0.612680
H -3.920548 -0.708157 0.334955
H -5.180132 -1.054307 1.562512
H -5.140284 1.718378 -0.963371
H -4.704318 0.235746 -1.884751
H -5.760516 -1.985336 -1.148476
H -6.859313 -1.941372 0.278519
H -5.369801 1.384409 2.098979
H -4.081469 1.773472 0.933796
H -7.496200 1.567945 -1.700493
H -6.417826 1.509687 -3.153103
H -8.111500 -2.038003 -1.945863
H -8.506163 -0.565074 -0.969458
H -3.230566 1.674250 3.270054
H -3.715421 -0.045628 3.400830
H 0.671942 3.455035 0.722408
H 2.196501 3.189175 1.627635
H -1.851538 -0.632711 1.969631
H 4.434990 -1.253426 0.439612
H 6.694592 -0.748819 -0.474407
H 7.139572 1.498648 -1.574570
H 1.318144 -3.013980 2.060386
H 2.552455 -1.570976 -1.842223
H 1.907985 -5.367731 1.378234
H 3.159543 -3.906443 -2.521950
H 2.841404 -5.811885 -0.912833


