%chk=000227011.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227011

0 1
 S   -3.196900       1.558000     -8.2500003E-02
 O   -3.688800       2.376000      -1.174300    
 O   -3.581500       1.850000       1.285200    
 O    3.428200       1.209100       1.826300    
 N   -3.527700     -7.8299999E-02 -0.4119000    
 N   -2.998500      -1.045400      0.5322000    
 N    2.747400       1.676400     -0.3820000    
 C   0.1996000      -2.756500      0.1008000    
 C    1.516100      -3.297100     -0.4605000    
 C  -0.8942000      -3.822600      0.2346000    
 C    2.568000      -2.192200     -0.5605000    
 C   -2.214600      -3.325100      0.8170000    
 C    3.890600      -2.726900      -1.085500    
 C   -2.778700      -2.198600     -3.7000000E-03
 C   -1.431400       1.593300     -0.1714000    
 C  -0.6705000       1.356500      0.9735000    
 C  -0.7994000       1.857800      -1.386500    
 C    1.354300       1.648900     -0.3118000    
 C   0.7222000       1.384300      0.9033000    
 C   0.5934000       1.885600      -1.456600    
 C    3.670100       1.464800      0.6512000    
 C    5.092400       1.581600      0.1632000    
 H  -0.1526000      -1.947800     -0.5510000    
 H   0.3819000      -2.310700       1.086700    
 H    1.341600      -3.732900      -1.451500    
 H    1.885600      -4.101500      0.1868000    
 H  -0.5238000      -4.641600      0.8631000    
 H   -1.083300      -4.251300     -0.7580000    
 H    2.211000      -1.399600      -1.228000    
 H    2.729600      -1.740000      0.4249000    
 H   -2.073600      -2.992900       1.851100    
 H   -2.946600      -4.139400      0.8159000    
 H    3.770400      -3.158800      -2.084100    
 H    4.626200      -1.919000      -1.150700    
 H    4.292500      -3.499600     -0.4224000    
 H   -2.994700      -2.412600      -1.065700    
 H   -3.688100     -0.3798000      -1.380700    
 H   -1.143400       1.142500       1.927800    
 H   -1.371900       2.037300      -2.292000    
 H    1.243100       1.188900       1.830100    
 H    1.072800       2.090800      -2.410400    
 H    3.131800       1.875100      -1.303300    
 H    5.256300       2.572300     -0.2701000    
 H    5.287000      0.8150000     -0.5920000    
 H    5.783600       1.441400      0.9988000    


%chk=000227011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227011

0 1
S -3.304082 1.607361 -0.205352
O -3.827918 2.267431 -1.599053
O -3.849425 2.045562 1.248455
O 3.405501 0.947108 1.840111
N -3.752536 -0.222883 -0.457629
N -3.031348 -1.075527 0.341080
N 2.778221 1.715973 -0.288736
C 0.226691 -2.722634 0.099247
C 1.553283 -3.261970 -0.481355
C -0.842280 -3.819304 0.300604
C 2.615715 -2.155778 -0.678088
C -2.155836 -3.284316 0.943928
C 3.947320 -2.693086 -1.245984
C -2.913904 -2.347182 0.036642
C -1.424484 1.653375 -0.190484
C -0.743292 1.338633 0.996874
C -0.771355 2.003195 -1.384789
C 1.361558 1.688941 -0.204282
C 0.666338 1.352342 0.991827
C 0.634538 2.024368 -1.382450
C 3.720052 1.348329 0.683334
C 5.172352 1.448375 0.226672
H -0.172693 -1.930785 -0.566686
H 0.427766 -2.228482 1.072228
H 1.358229 -3.761160 -1.454130
H 1.961173 -4.043759 0.193160
H -0.433529 -4.615390 0.955035
H -1.071936 -4.301744 -0.672349
H 2.204684 -1.379637 -1.356857
H 2.799350 -1.653760 0.293443
H -1.922327 -2.751740 1.883771
H -2.808103 -4.143897 1.199570
H 3.794230 -3.181727 -2.227023
H 4.689044 -1.883357 -1.385615
H 4.393303 -3.442547 -0.565408
H -3.362704 -2.774981 -0.883288
H -3.851592 -0.381104 -1.482573
H -1.298986 1.091379 1.905826
H -1.350059 2.267324 -2.275848
H 1.234893 1.102745 1.888701
H 1.170326 2.300720 -2.299029
H 3.158168 2.016638 -1.189190
H 5.307831 1.989002 -0.726125
H 5.585158 0.429380 0.115666
H 5.758164 1.953966 1.011551


