%chk=000121268.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121268

0 1
 S   0.9934000      -2.007700     -0.5080000    
 O   0.6457000      -1.975700      -1.915900    
 O    1.661900      -3.166300      5.2400000E-02
 N   -3.395500      0.5834000      0.2146000    
 N  -0.4104000      -1.631400      0.4139000    
 N    4.436400       2.702900      0.6367000    
 C   -2.646900     -0.6504000      0.4524000    
 C   -1.169100     -0.4372000      0.1592000    
 C   -4.810100      0.3920000      0.5320000    
 C   -3.237200       1.017900      -1.172700    
 C    2.016800     -0.6073000     -0.1673000    
 C   -4.993700     -6.0100000E-02   1.970900    
 C   -3.958500       2.331600      -1.422200    
 C    2.879000     -0.6473000      0.9148000    
 C    1.937200      0.5035000     -0.9892000    
 C    3.686600      0.4578000       1.183400    
 C    2.744900       1.608600     -0.7208000    
 C    3.619600       1.585800      0.3656000    
 H   -3.035300      -1.480700     -0.1529000    
 H   -2.708500     -0.9598000       1.501400    
 H  -0.7742000      0.3762000      0.7785000    
 H   -1.009600     -0.1823000     -0.8896000    
 H   -5.355200       1.337700      0.4476000    
 H   -5.288900     -0.3281000     -0.1435000    
 H   -2.194500       1.247100      -1.405500    
 H   -3.582200      0.2596000      -1.886600    
 H  -0.4676000      -2.016300       1.365100    
 H   -4.736100      -1.113800       2.115900    
 H   -4.410900      0.5514000       2.668500    
 H   -6.047800      4.1499998E-02   2.253700    
 H   -5.044100       2.207800      -1.482700    
 H   -3.727000       3.075400     -0.6521000    
 H   -3.639800       2.749200      -2.384300    
 H    2.939800      -1.512600       1.567600    
 H    1.261200      0.5428000      -1.837600    
 H    4.362800      0.4287000       2.033900    
 H    2.682900       2.482100      -1.364900    
 H    4.387800       3.521200      4.4500001E-02
 H    5.070300       2.687200       1.424500    


%chk=000121268-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121268

0 1
S 1.079249 -1.647378 -0.988525
O 0.654116 -1.090941 -2.457403
O 1.737031 -3.110093 -0.723690
N -3.727831 0.295529 -0.072721
N -0.505916 -1.674798 -0.035382
N 4.830681 2.460803 1.454227
C -2.827877 -0.861235 0.143516
C -1.356063 -0.470679 -0.150883
C -4.842249 0.380201 0.907096
C -4.167953 0.418324 -1.489651
C 2.234814 -0.373486 -0.230015
C -4.383236 0.871240 2.293479
C -4.530278 1.861678 -1.888493
C 3.149133 -0.794311 0.754082
C 2.170852 0.956918 -0.684816
C 4.017730 0.156636 1.316975
C 3.039787 1.905407 -0.117949
C 3.971905 1.521762 0.895213
H -3.088964 -1.737422 -0.491986
H -2.909719 -1.192667 1.195566
H -1.057150 0.361498 0.520489
H -1.279496 -0.117941 -1.195552
H -5.583834 1.096816 0.509975
H -5.374224 -0.599553 1.009355
H -3.335087 0.074747 -2.130944
H -5.029577 -0.262704 -1.705724
H -0.288293 -1.993399 0.923223
H -3.642355 0.187622 2.747240
H -3.917667 1.868421 2.206992
H -5.243512 0.937721 2.985706
H -5.380031 2.253893 -1.300543
H -3.666527 2.529350 -1.724682
H -4.815153 1.905006 -2.956296
H 3.196423 -1.849248 1.044460
H 1.475807 1.231832 -1.484950
H 4.743437 -0.152646 2.078152
H 3.009041 2.945440 -0.462701
H 4.816545 3.429325 1.147518
H 5.509639 2.192731 2.160943


