%chk=000277162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277162

0 1
S -0.862253 -0.882079 0.007809
O -0.993267 -1.582748 -1.244631
O -0.989878 -1.568615 1.268398
O 1.947171 -2.292572 0.011803
O 4.383534 1.615143 -0.013059
N 0.872725 1.135843 -0.005704
N 3.205601 -0.396449 -0.000378
N 2.075061 1.717517 -0.010529
C -1.934277 0.508409 0.001464
C -3.390852 0.034085 0.004636
C -4.367454 1.220256 -0.002410
C 0.786645 -0.163920 0.001585
C -5.817535 0.744182 0.003206
C 1.932520 -1.092099 0.005165
C 3.342292 1.003495 -0.008278
H -1.761766 1.164583 -0.877587
H -1.760780 1.173220 0.873811
H -3.586820 -0.609729 -0.880221
H -3.586387 -0.598925 0.897337
H -4.185961 1.855184 -0.891803
H -4.183317 1.867977 0.877158
H -6.044877 0.142880 0.891713
H -6.512825 1.591675 -0.003267
H -6.046805 0.127858 -0.874454
H 4.069745 -0.960762 0.001579
H 2.090463 2.749993 -0.016241


%chk=000277162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277162

0 1
S -0.862396 -0.982436 0.010124
O -1.056528 -1.761960 -1.409205
O -1.054433 -1.743201 1.439856
O 2.069762 -2.341981 0.008923
O 4.541237 1.666663 -0.015892
N 0.960297 1.126061 -0.002306
N 3.308863 -0.347222 -0.002716
N 2.199343 1.725260 -0.008730
C -2.035281 0.578930 0.000723
C -3.476317 0.071741 0.005104
C -4.475968 1.259462 -0.002500
C 0.914965 -0.183176 0.003698
C -5.939469 0.768055 0.001883
C 2.089145 -1.092446 0.007098
C 3.450393 1.054598 -0.011858
H -1.747795 1.121091 -0.913592
H -1.746543 1.133151 0.907384
H -3.653051 -0.565184 -0.882699
H -3.651947 -0.552832 0.901846
H -4.296689 1.889413 -0.896576
H -4.295557 1.901818 0.882486
H -6.150393 0.157555 0.899112
H -6.644881 1.618353 -0.003361
H -6.151685 0.145458 -0.886690
H 4.180744 -0.889338 -0.002717
H 2.204887 2.746570 -0.012293


