%chk=000126363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126363

0 1
 S   0.3078000      -2.593400      0.6656000    
 O    3.113900     -0.9270000       2.071200    
 O   5.2099999E-02  -3.576900       1.700600    
 O    1.307500      -2.849700     -0.3536000    
 N    3.778400     -0.1913000     -2.9899999E-02
 N   0.6257000      -1.085500       1.388900    
 N   -4.959700       2.584900      0.4866000    
 N   -3.933100       1.349100       2.183800    
 C    3.476900      0.3479000      -1.362000    
 C    5.187900     -0.5194000      0.1942000    
 C    4.335900       1.575700      -1.656600    
 C    6.078700      0.6916000     -6.9399998E-02
 C    5.820900       1.275500      -1.457500    
 C    1.411000     -6.9399998E-02  0.6650000    
 C    2.840600     -0.4374000      0.9723000    
 C    1.101300       1.328300       1.179200    
 C  -0.1215000       1.920300      0.5221000    
 C   -1.215200      -2.277400     -0.1743000    
 C   -1.367500       1.713800       1.093300    
 C   2.2600001E-02   2.659200     -0.6418000    
 C   -2.497800       2.260000      0.4853000    
 C   -1.107800       3.205300      -1.249800    
 C   -1.184300      -1.814400      -1.478300    
 C   -2.410300      -2.500500      0.4871000    
 C   -2.367900       3.005800     -0.6864000    
 C   -2.386100      -1.566900      -2.141500    
 C   -3.612100      -2.252900     -0.1761000    
 C   -3.600100      -1.786100      -1.490400    
 C   -3.812400       2.052100       1.071600    
 C   -4.885400      -1.521000      -2.199200    
 H    3.686200     -0.4480000      -2.086500    
 H    2.437800      0.6378000      -1.493900    
 H    5.347300     -0.8792000       1.215500    
 H    5.444300      -1.340100     -0.4862000    
 H    4.160100       1.916300      -2.682900    
 H    4.041900       2.394100     -0.9875000    
 H    5.879200       1.461500      0.6864000    
 H    7.132500      0.4078000      2.6000001E-02
 H    6.156100      0.5640000      -2.222100    
 H    6.406800       2.191700      -1.590600    
 H    1.158700     -0.1763000     -0.3887000    
 H    1.950700       1.999800      0.9921000    
 H   0.9728000       1.333100       2.270200    
 H   0.6083000      -1.014200       2.413900    
 H   -1.444800       1.128300       2.005400    
 H   0.9992000       2.819500      -1.089500    
 H  -0.2507000      -1.630900      -2.000900    
 H   -2.439400      -2.855800       1.512600    
 H   -1.005800       3.785200      -2.162500    
 H   -3.212400       3.451600      -1.200000    
 H   -2.363600      -1.199400      -3.164000    
 H   -4.551500      -2.423200      0.3432000    
 H   -5.672200      -2.202000      -1.857300    
 H   -4.780000      -1.669500      -3.279200    
 H   -5.208400     -0.4911000      -2.016900    
 H   -4.957300       3.133700     -0.3640000    
 H   -5.868100       2.429600      0.9116000    
 H   -4.926800       1.315800       2.437500    


%chk=000126363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126363

0 1
S 0.142496 -2.519361 -0.390934
O 3.116957 -1.169822 1.883788
O 0.332025 -3.930251 0.399504
O 0.848514 -2.226357 -1.841784
N 4.192958 -0.125440 0.103045
N 0.661939 -1.131350 0.775232
N -4.828842 2.680841 0.436722
N -3.705548 1.215229 2.000358
C 4.235582 0.526311 -1.225744
C 5.528100 -0.380743 0.701946
C 5.022545 1.857473 -1.162220
C 6.334822 0.931359 0.809814
C 6.431903 1.637486 -0.562979
C 1.661601 -0.217591 0.179261
C 3.061202 -0.549201 0.767696
C 1.270749 1.258803 0.533877
C -0.044265 1.690057 -0.092394
C -1.696885 -2.201363 -0.596887
C -1.253123 1.617018 0.635502
C -0.079380 2.174101 -1.427141
C -2.484711 2.023119 0.062489
C -1.300476 2.564126 -2.017320
C -2.115428 -1.386949 -1.659404
C -2.576557 -2.793620 0.320168
C -2.501399 2.490703 -1.277481
C -3.498174 -1.145194 -1.791915
C -3.955949 -2.532258 0.166066
C -4.433165 -1.698154 -0.877326
C -3.726247 1.949059 0.904622
C -5.910042 -1.372435 -1.002995
H 4.736409 -0.163163 -1.937767
H 3.215384 0.693390 -1.601784
H 5.363000 -0.847136 1.685837
H 6.069947 -1.106281 0.059556
H 5.093713 2.282816 -2.181571
H 4.462916 2.582817 -0.538419
H 5.840581 1.599210 1.542008
H 7.344048 0.702983 1.201606
H 7.029137 1.009411 -1.256109
H 6.962699 2.602866 -0.466666
H 1.643510 -0.361580 -0.918535
H 2.089096 1.922466 0.192632
H 1.220972 1.335537 1.634669
H 1.087968 -1.612907 1.603707
H -1.269699 1.230692 1.659088
H 0.851281 2.248886 -2.004897
H -1.385758 -0.967335 -2.358601
H -2.198152 -3.441947 1.116566
H -1.318415 2.926041 -3.051425
H -3.442299 2.765037 -1.769432
H -3.852778 -0.508719 -2.611102
H -4.666340 -2.973860 0.873903
H -6.529953 -2.039491 -0.380158
H -6.257734 -1.458614 -2.048394
H -6.103378 -0.331513 -0.677828
H -4.725756 3.385098 -0.290640
H -5.694012 2.683793 0.973582
H -4.596688 1.246306 2.538309


