%chk=000227005.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227005

0 1
 S    1.906800       1.905300      0.8737000    
 O    2.831200       2.894600      0.3540000    
 O    1.667900       1.799200       2.300100    
 N   0.4144000       2.061900      6.1600000E-02
 N  -0.5633000       1.031200      0.3459000    
 N    3.712400      -3.447900     -0.9806000    
 C   -1.708700       1.085600     -0.2671000    
 C    2.443700      0.3133000      0.3218000    
 C   -2.081500       2.168800      -1.274700    
 C   -2.712300      1.1900000E-02  4.0600002E-02
 C    3.212200      0.2199000     -0.8252000    
 C    2.085100     -0.8089000       1.047800    
 C   -1.638300       1.797600      -2.680800    
 C   -3.595600     -0.3537000     -0.9431000    
 C   -2.698100     -0.5518000       1.291000    
 C    3.283900      -2.178200     -0.5411000    
 C    3.635800      -1.035900      -1.260200    
 C    2.508700      -2.064700      0.6129000    
 C   -4.528200      -1.350800     -0.6570000    
 C   -3.630500      -1.549000       1.577200    
 C   -4.545600      -1.948400      0.6032000    
 H   -3.167700       2.315500      -1.259400    
 H   -1.655600       3.131800     -0.9752000    
 H   0.4045000       2.496400     -0.8673000    
 H    3.489600       1.096900      -1.401700    
 H    1.476900     -0.7431000       1.944700    
 H  -0.5469000       1.831600      -2.763400    
 H   -1.941400      0.7931000      -2.983100    
 H   -2.046500       2.510800      -3.404000    
 H   -3.625600      8.7300003E-02  -1.929900    
 H   -1.999900     -0.2480000       2.064500    
 H    4.238200      -1.111500      -2.161900    
 H    2.226600      -2.947600       1.180900    
 H   -5.242500      -1.660800      -1.414200    
 H   -3.645600      -2.013000       2.559100    
 H   -5.272400      -2.724100      0.8264000    
 H    4.274000      -3.530900      -1.817600    
 H    3.457000      -4.276500     -0.4602000    


%chk=000227005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227005

0 1
S 1.754320 1.533245 0.850955
O 2.603220 2.862101 0.430975
O 1.161417 1.304590 2.349997
N 0.288572 1.612023 -0.476458
N -0.776130 0.857929 -0.091988
N 4.801754 -3.429907 -0.761472
C -2.009099 1.097713 -0.528993
C 2.678966 0.008274 0.348239
C -2.308428 2.231975 -1.499891
C -3.069978 0.163759 -0.072811
C 3.624339 0.106117 -0.689810
C 2.417105 -1.193825 1.030929
C -1.909562 1.880568 -2.960312
C -4.340653 0.115583 -0.711848
C -2.832082 -0.707924 1.030313
C 4.097942 -2.290438 -0.393153
C 4.336791 -1.046890 -1.057273
C 3.131626 -2.344405 0.658357
C -5.341163 -0.774567 -0.262709
C -3.831651 -1.591864 1.477013
C -5.093899 -1.630994 0.833408
H -3.375223 2.506005 -1.449984
H -1.750537 3.141381 -1.187021
H 0.164053 2.642480 -0.626629
H 3.808059 1.067734 -1.179448
H 1.684475 -1.215436 1.843648
H -0.839665 1.613083 -3.021452
H -2.495057 1.020866 -3.331658
H -2.091307 2.738355 -3.632360
H -4.552316 0.760857 -1.571389
H -1.856350 -0.664138 1.523739
H 5.082947 -0.992753 -1.858259
H 2.945603 -3.291321 1.177878
H -6.312147 -0.800069 -0.770052
H -3.633993 -2.247351 2.332704
H -5.872447 -2.317539 1.184302
H 5.493389 -3.399602 -1.505200
H 4.639810 -4.317715 -0.294584


