%chk=000226999.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226999

0 1
 S    1.874200       2.429700      0.4441000    
 O    2.037500       2.512200       1.882900    
 O    2.028700       3.610800     -0.3829000    
 O   -4.053200     -0.9635000       1.293100    
 N    2.876700       1.185400     -0.1556000    
 N   -3.527900      0.2448000     -0.6619000    
 N    2.672300     -0.1239000      0.4374000    
 C   0.2637000       1.777700      0.1141000    
 C  -0.3589000      0.9993000       1.073800    
 C  -0.3431000       2.059100      -1.097400    
 C   -2.256800      0.7587000     -0.4019000    
 C   -1.629300      0.4855000      0.8136000    
 C   -1.613500       1.545400      -1.357400    
 C    2.877200      -1.152200     -0.3305000    
 C    1.510900      -3.191400      0.1117000    
 C    2.674100      -2.524500      0.2090000    
 C    3.351800      -1.070100      -1.761400    
 C   -4.322700     -0.5574000      0.1674000    
 C    1.252100      -4.576300      0.6378000    
 C   0.3242000      -2.545300     -0.5517000    
 C   -5.638000     -0.9038000     -0.4842000    
 H   0.1166000      0.7711000       2.022700    
 H   0.1443000       2.662100      -1.857100    
 H   -2.062000     -0.1172000       1.599800    
 H   -2.089700       1.764500      -2.309800    
 H    3.232000       1.252700      -1.115000    
 H   -3.917200      0.4886000      -1.570300    
 H    3.538200      -2.975700      0.6863000    
 H    4.326900     -0.5762000      -1.799600    
 H    3.456700      -2.067900      -2.197500    
 H    2.627900     -0.5097000      -2.359900    
 H    2.143600      -4.995300       1.116100    
 H   0.9624000      -5.246500     -0.1777000    
 H   0.4489000      -4.559000       1.381300    
 H  -3.7000000E-03  -3.156500      -1.399800    
 H   0.5030000      -1.538300     -0.9353000    
 H  -0.5071000      -2.478700      0.1586000    
 H   -6.206000      1.0300000E-02 -0.6783000    
 H   -6.220500      -1.550800      0.1775000    
 H   -5.458500      -1.430000      -1.426100    


%chk=000226999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226999

0 1
S 1.391381 1.602021 0.461852
O 1.639049 0.943399 1.933561
O 1.876721 3.113663 0.080107
O -5.271576 -0.667550 0.413514
N 2.245524 0.486797 -0.979271
N -4.512179 1.132898 -0.890538
N 2.324832 -0.809810 -0.553496
C -0.423878 1.427663 0.051544
C -1.170408 0.432429 0.701095
C -0.978433 2.316569 -0.884650
C -3.136801 1.191663 -0.540796
C -2.543190 0.309495 0.405017
C -2.348258 2.193750 -1.175718
C 3.275734 -1.630545 -1.006038
C 2.655996 -3.590645 0.518349
C 3.338860 -3.012810 -0.531362
C 4.287489 -1.162046 -2.042407
C -5.497072 0.249111 -0.427409
C 2.884859 -5.052340 0.850177
C 1.660059 -2.859023 1.392128
C -6.884469 0.478024 -1.021022
H -0.692770 -0.220010 1.438799
H -0.359545 3.089378 -1.350515
H -3.159569 -0.450049 0.887849
H -2.808756 2.878217 -1.898898
H 3.146374 1.007689 -1.131869
H -4.820516 1.830420 -1.571490
H 4.044010 -3.647712 -1.084627
H 4.895079 -0.316380 -1.655916
H 4.983687 -1.968489 -2.318733
H 3.779167 -0.803956 -2.958272
H 3.600369 -5.535551 0.162793
H 1.930425 -5.614530 0.810243
H 3.266299 -5.161973 1.884950
H 1.394218 -3.459977 2.279829
H 0.734223 -2.641870 0.823401
H 2.035579 -1.869482 1.709242
H -7.594721 0.679773 -0.200826
H -7.217610 -0.449030 -1.518303
H -6.934382 1.308520 -1.746393


