%chk=000072024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072024

0 1
 S   -4.143400       1.348200     -0.4398000    
 O   -4.315500       2.212000      0.7079000    
 O   -4.381500       1.776300      -1.801000    
 O   -1.857400      -1.706200      3.8500000E-02
 N    1.540100       1.620000      0.2288000    
 N    4.058300      0.2744000      0.1442000    
 N   -2.646900      0.5033000     -0.3321000    
 N    6.388800      0.3462000     -0.2288000    
 N    5.250100      -1.761000      3.5300002E-02
 C    1.757000      0.3987000       1.013900    
 C    2.788900       2.387100      0.1434000    
 C   0.4795000       2.431600      0.8248000    
 C    2.826000     -0.4873000      0.3693000    
 C    3.891500       1.567500     -0.5311000    
 C  -0.8556000       1.682500      0.8741000    
 C   -1.384400       1.239300     -0.4880000    
 C   -5.041400     -0.1185000     -0.1614000    
 C   -2.766500     -0.9051000     -8.1299998E-02
 C   -4.205600      -1.221600      1.0100000E-02
 C    5.271900     -0.4021000     -2.1500001E-02
 C   -6.417100     -0.2090000     -0.1107000    
 C   -4.742100      -2.476100      0.2424000    
 C   -6.964200      -1.471300      0.1234000    
 C   -6.134900      -2.594700      0.2983000    
 C    7.540800     -0.3382000     -0.3852000    
 C    6.437200      -2.380900     -0.1291000    
 C    7.626400      -1.715000     -0.3443000    
 H   0.8568000     -0.2202000       1.067300    
 H    2.052300      0.6442000       2.042900    
 H    3.122200       2.698500       1.142600    
 H    2.630500       3.298000     -0.4467000    
 H   0.7480000       2.752700       1.839800    
 H   0.3367000       3.341700      0.2284000    
 H    3.003600      -1.333500       1.044400    
 H    2.463800     -0.8905000     -0.5850000    
 H    3.647100       1.396800      -1.587400    
 H    4.808900       2.166800     -0.4984000    
 H  -0.8238000      0.8390000       1.572600    
 H   -1.590400       2.368400       1.317200    
 H   -1.537900       2.108500      -1.137700    
 H  -0.6667000      0.5908000      -1.002300    
 H   -7.054100      0.6573000     -0.2457000    
 H   -4.112500      -3.348700      0.3788000    
 H   -8.043400      -1.590700      0.1715000    
 H   -6.584500      -3.567600      0.4794000    
 H    6.404900      -3.464100     -8.1299998E-02
 H    8.423100      0.2710000     -0.5497000    
 H    8.564500      -2.237900     -0.4730000    


%chk=000072024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072024

0 1
S -4.308221 1.587688 -0.179887
O -4.453139 2.430924 1.199467
O -4.633380 2.342689 -1.575671
O -1.618435 -1.364211 -0.087082
N 1.523999 1.585368 0.199561
N 3.862784 0.048979 -0.451176
N -2.602733 0.755781 -0.277500
N 6.216981 0.232307 -0.530285
N 5.120817 -1.797166 0.316768
C 1.724404 0.231121 0.784952
C 2.828109 2.252692 -0.050907
C 0.614691 2.447544 0.997503
C 2.594194 -0.637736 -0.144013
C 3.704214 1.408903 -0.996806
C -0.821870 1.890115 1.083025
C -1.383685 1.572282 -0.322348
C -5.075219 -0.132477 -0.063272
C -2.646284 -0.624327 -0.129572
C -4.065457 -1.109496 -0.044247
C 5.095608 -0.518279 -0.215264
C -6.443380 -0.407644 -0.000860
C -4.442155 -2.464690 0.049247
C -6.807508 -1.776169 0.090519
C -5.817076 -2.789100 0.115840
C 7.419208 -0.354540 -0.298814
C 6.348052 -2.337573 0.528490
C 7.554556 -1.658307 0.234930
H 0.746905 -0.268761 0.897500
H 2.206574 0.294324 1.793330
H 3.388719 2.425885 0.902897
H 2.636882 3.237947 -0.516138
H 0.999402 2.605234 2.037532
H 0.594455 3.442285 0.509629
H 2.827456 -1.605143 0.324496
H 2.041198 -0.817416 -1.087812
H 3.211193 1.345960 -1.988155
H 4.703768 1.852720 -1.117510
H -0.839798 0.967205 1.690588
H -1.466940 2.624822 1.598708
H -1.602920 2.497408 -0.887777
H -0.623765 1.009386 -0.896114
H -7.199126 0.382775 -0.020071
H -3.660202 -3.230544 0.065312
H -7.866845 -2.046912 0.143082
H -6.121898 -3.837977 0.187201
H 6.354330 -3.350195 0.949371
H 8.298860 0.249356 -0.552113
H 8.531777 -2.112436 0.411249


