%chk=000165002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165002

0 1
 S   -2.355000       1.636900       1.426700    
 O    2.919800       2.922000     -0.9647000    
 N  -0.7394000     -0.2404000     -0.4524000    
 N    3.174200      -3.148400      0.5437000    
 C    1.162700      -1.758500      8.3899997E-02
 C   0.1280000      -1.309800     -0.9632000    
 C    2.140300      -2.830200     -0.4352000    
 C   0.4792000      -2.253200       1.363800    
 C  -0.1340000       1.008500     -0.1622000    
 C   -2.126100     -0.5176000     -0.3502000    
 C  -0.7789000       1.954800      0.6587000    
 C   -2.968400      0.2774000      0.4522000    
 C    1.116300       1.377500     -0.7049000    
 C   -2.732900      -1.571300      -1.068300    
 C    3.974100      -1.961800      0.8514000    
 C    4.033200      -4.227100      5.2999999E-02
 C  -0.1773000       3.194900      0.9374000    
 C   -4.344500      2.4000001E-03  0.5441000    
 C    1.707600       2.613300     -0.4285000    
 C   -4.101900      -1.837100     -0.9771000    
 C    1.061700       3.521700      0.3962000    
 C   -4.908000      -1.051500     -0.1674000    
 C    3.469100       4.197500     -0.6369000    
 H    1.740100     -0.8762000      0.3644000    
 H   0.6123000      -1.002600      -1.898300    
 H  -0.3942000      -2.228600      -1.233800    
 H    2.588300      -2.486000      -1.377300    
 H    1.565900      -3.735600     -0.6719000    
 H  -0.1568000      -1.480100       1.806300    
 H    1.202900      -2.532000       2.136200    
 H  -0.1484000      -3.127800       1.160400    
 H    1.662900      0.7197000      -1.375300    
 H   -2.193800      -2.192100      -1.775800    
 H    4.848100      -2.238300       1.454100    
 H    3.427300      -1.244300       1.470200    
 H    4.341500      -1.457400     -4.9899999E-02
 H    3.442800      -5.127600     -0.1500000    
 H    4.774400      -4.505100      0.8107000    
 H    4.564300      -3.948000     -0.8644000    
 H  -0.6703000       3.920600       1.581400    
 H   -4.993700      0.6092000       1.172200    
 H   -4.536100      -2.649900      -1.552100    
 H    1.459300       4.496000      0.6572000    
 H   -5.972300      -1.252900     -9.3999997E-02
 H    3.667800       4.286300      0.4366000    
 H    2.842500       5.013900      -1.011900    
 H    4.434300       4.274700      -1.148000    


%chk=000165002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165002

0 1
S -2.306387 1.275193 1.844205
O 2.722272 2.925366 -1.077723
N -0.752036 -0.351495 -0.223211
N 3.376418 -3.168892 0.524847
C 1.259941 -1.782924 0.330355
C 0.133436 -1.445724 -0.685051
C 2.221451 -2.805660 -0.326999
C 0.680862 -2.310144 1.658459
C -0.194336 0.940641 0.012043
C -2.170779 -0.493125 -0.339496
C -0.846667 1.853127 0.891849
C -3.040565 0.235709 0.520159
C 0.992643 1.362361 -0.632636
C -2.760322 -1.338788 -1.319182
C 4.323839 -2.054831 0.731247
C 4.059535 -4.385960 0.042153
C -0.333057 3.144282 1.094635
C -4.440096 0.118465 0.415130
C 1.527387 2.649679 -0.389467
C -4.162155 -1.486420 -1.399693
C 0.868666 3.558275 0.472205
C -5.010443 -0.761217 -0.534089
C 3.311324 4.252989 -0.894603
H 1.822596 -0.852993 0.538857
H 0.569565 -1.220028 -1.683766
H -0.493722 -2.346291 -0.801786
H 2.561055 -2.402255 -1.321332
H 1.656335 -3.737130 -0.534643
H 0.028486 -1.555708 2.132970
H 1.499067 -2.571589 2.350791
H 0.080510 -3.225770 1.489093
H 1.520454 0.715573 -1.337495
H -2.125168 -1.871018 -2.033613
H 5.147882 -2.391814 1.385042
H 3.824948 -1.207825 1.231770
H 4.771144 -1.676939 -0.224490
H 3.338778 -5.221354 -0.012608
H 4.857819 -4.670009 0.751401
H 4.527015 -4.264991 -0.969358
H -0.861822 3.831360 1.763598
H -5.079120 0.703619 1.085057
H -4.588773 -2.155736 -2.154865
H 1.262945 4.558801 0.666947
H -6.098056 -0.867338 -0.599546
H 3.588021 4.429056 0.163418
H 2.621424 5.050248 -1.234001
H 4.216587 4.255122 -1.519481


