%chk=000179961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179961

0 1
S 5.265070 1.081272 -0.826122
O -2.534487 1.731257 -0.549770
N -3.147250 -0.029677 0.765278
C -5.279346 -0.846072 -0.277698
C -4.595655 0.231839 0.599074
C -5.355816 -2.193075 0.449019
C -6.679266 -0.361492 -0.670159
C -2.198465 0.756760 0.110093
C -0.782285 0.339348 0.309602
C 0.202944 1.017102 -0.302305
C 4.099141 0.114635 0.054118
C 4.742119 -0.859683 0.772140
C 6.173942 -0.825257 0.611220
C 1.567844 0.686493 -0.166466
C 6.607307 0.164755 -0.219590
C 2.744128 0.413721 -0.058280
H -4.674848 -0.976685 -1.210842
H -4.726539 1.239689 0.131116
H -5.067101 0.280993 1.604035
H -5.902367 -2.115036 1.395156
H -5.875795 -2.940348 -0.162302
H -4.361961 -2.594214 0.668528
H -7.315273 -0.191573 0.205176
H -7.188782 -1.096338 -1.303812
H -6.635677 0.576866 -1.235913
H -2.895066 -0.881035 1.250450
H -0.586610 -0.511625 0.958716
H -0.018911 1.882562 -0.952898
H 4.248499 -1.588765 1.400623
H 6.817110 -1.533896 1.117240
H 7.619196 0.401480 -0.502828


%chk=000179961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179961

0 1
S 5.348021 0.948242 -1.073024
O -2.567630 1.451234 -0.876850
N -3.205804 0.000857 0.835607
C -5.353523 -0.720311 -0.308535
C -4.643613 0.258794 0.667912
C -5.259128 -2.184253 0.177534
C -6.825488 -0.284054 -0.487804
C -2.250532 0.617341 0.034195
C -0.842911 0.233021 0.334471
C 0.183410 0.785297 -0.392475
C 4.162812 0.090735 0.029565
C 4.855593 -0.738282 0.922111
C 6.280356 -0.714992 0.760456
C 1.560469 0.517998 -0.217333
C 6.709524 0.129532 -0.256004
C 2.783145 0.312169 -0.095782
H -4.837542 -0.634969 -1.285412
H -4.742637 1.288817 0.281370
H -5.131109 0.207441 1.661846
H -5.747380 -2.305915 1.165010
H -5.763840 -2.866593 -0.530660
H -4.208040 -2.516774 0.266003
H -7.372979 -0.335302 0.473880
H -7.347109 -0.943168 -1.205399
H -6.895161 0.752463 -0.866502
H -2.903064 -0.678246 1.534998
H -0.637464 -0.487688 1.136375
H -0.109619 1.500166 -1.178008
H 4.334267 -1.341435 1.668808
H 6.966805 -1.302360 1.374523
H 7.725971 0.334233 -0.588278


