%chk=000227301.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227301

0 1
 S  -0.2317000       2.364700     -0.1625000    
 O  -0.8503000       3.649000      0.1329000    
 O   5.7300001E-02   1.999100      -1.540300    
 O    4.723000      -3.002300      0.6492000    
 O    5.483900      -2.111400      -1.298500    
 N    1.176900       2.225000      0.8144000    
 C   -3.523800     -0.1103000      0.4081000    
 C   -2.608300      0.9937000     -0.1320000    
 C   -4.849300     -0.2305000     -0.3462000    
 C   -1.249900       1.111700      0.5458000    
 C   -5.715800      -1.351600      0.2321000    
 C   -7.026800      -1.496000     -0.5405000    
 C   -7.875400      -2.631100      9.9999998E-03
 C    2.084100       1.145000      0.5304000    
 C    2.857400       1.183500     -0.6233000    
 C    2.175400      7.5199999E-02   1.412200    
 C    3.735900      0.1358000     -0.8996000    
 C    3.053900     -0.9725000       1.135900    
 C    3.834000     -0.9422000     -1.9900000E-02
 C    4.749300      -2.035000     -0.3082000    
 H   -3.723700      8.2400002E-02   1.469300    
 H   -2.991300      -1.068100      0.3557000    
 H   -3.132400       1.954600     -5.3900000E-02
 H   -2.455100      0.8231000      -1.205400    
 H   -4.649100     -0.4280000      -1.406200    
 H   -5.390900      0.7215000     -0.2906000    
 H   -1.376900       1.346900       1.607400    
 H  -0.7172000      0.1602000      0.4553000    
 H   -5.162900      -2.298200      0.1948000    
 H   -5.930700      -1.144300       1.287500    
 H   -7.595600     -0.5606000     -0.4862000    
 H   -6.816500      -1.687000      -1.599300    
 H    1.030100       2.387700       1.819800    
 H   -8.808300      -2.715700     -0.5560000    
 H   -8.129700      -2.456800       1.060300    
 H   -7.346700      -3.587000     -6.1900001E-02
 H    2.800600       2.023300      -1.310400    
 H    1.570300      4.2599998E-02   2.314200    
 H    4.337000      0.1797000      -1.804000    
 H    3.098200      -1.792300       1.847400    
 H    5.343900      -3.734100      0.4457000    


%chk=000227301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227301

0 1
S -0.211214 1.191591 0.189994
O -0.573359 2.742211 0.545305
O 0.241978 0.750227 -1.308480
O 7.360865 -0.335384 0.085006
O 6.471186 -2.079498 -1.165722
N 1.151943 0.573139 1.524925
C -4.134294 -0.461545 0.344068
C -2.934279 0.421416 -0.088380
C -5.410958 -0.142877 -0.468366
C -1.693225 0.078381 0.733688
C -6.620668 -1.009509 -0.052128
C -7.899110 -0.696129 -0.863261
C -9.104533 -1.563974 -0.442043
C 2.420828 0.220403 1.003237
C 2.537112 -0.896688 0.125001
C 3.596610 0.926928 1.397827
C 3.800624 -1.303737 -0.326661
C 4.861426 0.497391 0.965396
C 4.973120 -0.619316 0.095126
C 6.285187 -1.101674 -0.399752
H -4.339391 -0.310182 1.423666
H -3.876186 -1.532697 0.216167
H -3.191346 1.488996 0.049307
H -2.727555 0.264648 -1.164259
H -5.205435 -0.292601 -1.548288
H -5.666428 0.929578 -0.344041
H -1.789982 0.297225 1.809328
H -1.307268 -0.940795 0.572435
H -6.365852 -2.083045 -0.174419
H -6.828447 -0.859530 1.028047
H -8.153375 0.376600 -0.742471
H -7.691878 -0.846958 -1.942284
H 1.197208 1.403181 2.149711
H -10.004595 -1.321907 -1.036284
H -9.352227 -1.408052 0.624974
H -8.886968 -2.639767 -0.581713
H 1.636277 -1.430181 -0.190347
H 3.507118 1.803200 2.051476
H 3.907613 -2.157889 -1.002777
H 5.766969 1.024039 1.277783
H 8.205411 -0.705522 -0.287289


