%chk=000227008.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227008

0 1
 S   0.6129000       2.505800      0.1501000    
 O   0.5420000       3.641000     -0.7498000    
 O   0.7899000       2.710700       1.575100    
 O   -4.555000      -1.840900       1.478600    
 N    2.779800       1.007900      0.5540000    
 N    1.785500       1.412900     -0.4198000    
 N   -4.327700     -0.6957000     -0.5696000    
 C    2.619700      -1.081800     -0.7320000    
 C    3.765800      -1.780600      -1.472900    
 C    4.774200      -2.449000     -0.5366000    
 C    5.333800      -1.451700      0.4764000    
 C    4.227700     -0.7956000       1.291200    
 C    3.190000     -0.2043000      0.3679000    
 C    1.612800      -2.064900     -0.1416000    
 C  -0.8589000       1.551400     -6.4599998E-02
 C   -1.295500      0.7406000      0.9689000    
 C   -1.548600       1.632600      -1.262200    
 C   -3.165100      5.7399999E-02 -0.4005000    
 C   -2.457400     -1.2300000E-02  0.7996000    
 C   -2.710700      0.8798000      -1.431300    
 C   -4.932600      -1.569600      0.3434000    
 C   -6.182700      -2.193600     -0.2243000    
 H    2.088400     -0.5153000      -1.500300    
 H    4.299300      -1.036000      -2.078700    
 H    3.367000      -2.525200      -2.171900    
 H    5.596900      -2.866900      -1.128100    
 H    4.303600      -3.288200     -1.1700000E-02
 H    5.903000     -0.6796000     -5.6400001E-02
 H    6.033900      -1.961000       1.148000    
 H    4.644900     -1.2400000E-02   1.933000    
 H    3.736500      -1.530800       1.937400    
 H    2.065300      -2.720800      0.6088000    
 H   0.7925000      -1.530300      0.3485000    
 H    1.181900      -2.697100     -0.9251000    
 H    2.183400       1.620900      -1.345800    
 H  -0.7529000      0.6668000       1.906400    
 H   -1.206700       2.261300      -2.078500    
 H   -2.745000     -0.6275000       1.640800    
 H   -3.251300      0.9426000      -2.372400    
 H   -4.785800     -0.5902000      -1.472500    
 H   -6.915900      -1.413700     -0.4479000    
 H   -6.613000      -2.888600      0.5021000    
 H   -5.941400      -2.742000      -1.139200    


%chk=000227008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227008

0 1
S 0.412779 2.104532 -1.075375
O 0.347067 2.825593 -2.535270
O 0.935222 2.889459 0.250540
O -5.014140 -0.700797 2.420954
N 1.828514 -0.117588 -0.276159
N 1.491800 0.521178 -1.456317
N -4.999019 -0.386954 0.092764
C 3.908504 -1.143059 -1.296729
C 5.363557 -1.120529 -0.736237
C 5.541115 -1.977961 0.538552
C 4.552984 -1.530573 1.639837
C 3.089286 -1.619431 1.133834
C 2.900028 -0.882108 -0.178230
C 3.569322 -2.477419 -2.023498
C -1.238583 1.321810 -0.689981
C -1.552740 1.032104 0.646643
C -2.114597 1.073319 -1.759776
C -3.718201 0.189058 -0.120393
C -2.807044 0.458456 0.939106
C -3.365802 0.505122 -1.464022
C -5.586135 -0.797778 1.297801
C -6.988903 -1.382075 1.153008
H 3.838833 -0.337981 -2.059574
H 5.634651 -0.072890 -0.495248
H 6.056832 -1.459153 -1.530876
H 6.583399 -1.890143 0.900193
H 5.376674 -3.049530 0.305835
H 4.776593 -0.485936 1.934402
H 4.668956 -2.155715 2.545209
H 2.376052 -1.215937 1.872498
H 2.835991 -2.691248 0.985684
H 3.644614 -3.341371 -1.339694
H 2.543031 -2.454324 -2.431351
H 4.271325 -2.643395 -2.861113
H 2.260043 0.888947 -2.066568
H -0.838452 1.260968 1.443083
H -1.829146 1.335787 -2.783069
H -3.090878 0.214607 1.963772
H -4.072988 0.305992 -2.278704
H -5.564191 -0.519952 -0.748767
H -7.685125 -0.797512 1.778459
H -6.988389 -2.413792 1.544772
H -7.368339 -1.395681 0.116504


