%chk=000227009.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227009

0 1
 S  -0.4819000      -2.700800     -0.2235000    
 O  -0.7508000      -2.780300      -1.646400    
 O  -0.2518000      -3.907900      0.5471000    
 O    4.241800       2.168100      -1.383500    
 N   -2.778200      -1.352300     -0.3437000    
 N   -1.693400      -1.768800      0.5234000    
 N    4.239200      0.8068000      0.5413000    
 C   -3.606900       2.685500      2.2500001E-02
 C   -4.058000       1.832200      -1.176400    
 C   -2.447700       2.001100      0.7687000    
 C   -4.403500      0.3961000     -0.7959000    
 C   -2.761500      0.5673000       1.185100    
 C   -3.266400     -0.2032000     -9.4999997E-03
 C   -4.772300       3.013700      0.9589000    
 C   0.9250000      -1.655900      4.4999998E-03
 C    1.230900     -0.7135000     -0.9623000    
 C    1.695400      -1.798600       1.145800    
 C    3.128700     -1.8700000E-02  0.3615000    
 C    2.341300      0.1113000     -0.7825000    
 C    2.805700     -0.9737000       1.325600    
 C    4.715500       1.813400     -0.3090000    
 C    5.949000       2.478500      0.2484000    
 H   -3.233700       3.640800     -0.3693000    
 H   -3.243700       1.814000      -1.912900    
 H   -4.917700       2.298700      -1.671600    
 H   -2.170700       2.588500       1.652100    
 H   -1.568800       1.991100      0.1102000    
 H   -4.589000     -0.1987000      -1.696500    
 H   -5.306800      0.3578000     -0.1785000    
 H   -3.552100      0.5534000       1.943700    
 H   -1.868500      0.1570000       1.658400    
 H   -5.560800       3.546900      0.4171000    
 H   -5.218900       2.119100       1.401900    
 H   -4.437000       3.660000       1.777100    
 H   -2.007500      -2.083700       1.451300    
 H   0.6244000     -0.5928000      -1.854800    
 H    1.456000      -2.530400       1.911100    
 H    2.526600      0.8275000      -1.570700    
 H    3.409500      -1.084800       2.222700    
 H    4.762100      0.6500000       1.400500    
 H    5.711100       2.957700       1.202200    
 H    6.308900       3.237900     -0.4513000    
 H    6.736100       1.734300      0.3991000    


%chk=000227009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227009

0 1
S -0.270427 -2.583382 0.531163
O -0.661086 -3.157151 -0.940573
O -0.156179 -3.558351 1.831619
O 4.955134 1.254666 -2.200219
N -1.896285 -0.402792 0.110774
N -1.530140 -1.233922 1.160447
N 4.865441 0.620574 0.060288
C -4.637973 2.760135 0.585382
C -3.549264 2.692774 -0.521575
C -4.249625 1.822100 1.760914
C -3.284294 1.239845 -1.007183
C -3.996975 0.352639 1.307090
C -2.999827 0.314565 0.158336
C -6.055792 2.463274 0.038353
C 1.288173 -1.567060 0.368048
C 1.630630 -1.058794 -0.894111
C 2.077127 -1.378951 1.515150
C 3.646900 -0.107624 0.114685
C 2.823955 -0.319702 -1.026675
C 3.267347 -0.643325 1.379064
C 5.461746 1.249318 -1.042034
C 6.792703 1.932342 -0.738655
H -4.649822 3.796935 0.981431
H -2.602588 3.111122 -0.125451
H -3.846161 3.320001 -1.384268
H -5.043971 1.832107 2.532131
H -3.325952 2.204367 2.238525
H -2.435746 1.205062 -1.711157
H -4.178010 0.869466 -1.550513
H -4.953951 -0.093759 0.968087
H -3.648659 -0.236777 2.175487
H -6.324021 3.176628 -0.762827
H -6.137896 1.445282 -0.384288
H -6.813518 2.553717 0.838930
H -2.276828 -1.804420 1.620294
H 0.986212 -1.250124 -1.757419
H 1.776667 -1.812420 2.473887
H 3.127607 0.093975 -1.989235
H 3.906536 -0.485833 2.256621
H 5.373619 0.689846 0.944737
H 6.734482 2.985722 -1.060915
H 7.585870 1.452257 -1.337890
H 7.084443 1.900268 0.325444


