%chk=000218151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218151

0 1
S -1.976890 -0.968872 -1.072866
S -3.090385 -1.089388 0.648630
O -4.368678 -0.134593 0.151163
O -3.604413 -2.404295 0.821724
O -2.426807 -0.363204 1.685107
N 0.743677 1.045612 -1.448630
N -0.260011 1.431499 0.750008
C 2.852167 0.003807 -0.609508
C 4.385289 0.192862 -0.575749
C 2.468056 -0.466509 0.810541
C 4.909479 -0.785618 0.489699
C 3.716379 -1.153178 1.394617
C 2.137436 1.296357 -1.052315
C -0.258252 1.065563 -0.622740
C -1.620959 0.806989 -1.220673
H 2.601643 -0.806436 -1.336494
H 4.652268 1.229820 -0.307713
H 4.834735 0.000726 -1.562674
H 1.607175 -1.153882 0.780210
H 2.169992 0.387899 1.445106
H 5.729559 -0.335404 1.072230
H 5.327068 -1.690283 0.015058
H 3.579955 -2.247474 1.430539
H 3.892422 -0.830104 2.433797
H 2.632049 1.688201 -1.975902
H 2.246290 2.094099 -0.287061
H -2.413232 1.448407 -0.782966
H -1.619283 1.040037 -2.315670
H 0.618652 1.304987 1.245683
H -1.050190 1.128077 1.321412
H -5.268293 -0.418502 0.384735


%chk=000218151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218151

0 1
S -2.011136 -1.269876 -0.988386
S -3.509673 -0.744021 0.923613
O -5.061092 -0.419378 -0.058155
O -3.787660 -1.923793 1.989612
O -3.017333 0.704574 1.500872
N 0.838418 0.869997 -1.489177
N -0.327725 1.250309 0.616792
C 3.041325 0.076108 -0.609243
C 4.527336 0.463360 -0.349467
C 2.631781 -0.668149 0.687602
C 5.092950 -0.632326 0.616622
C 3.875915 -1.535758 0.999776
C 2.159186 1.293724 -0.985699
C -0.233589 0.908931 -0.721876
C -1.542246 0.517168 -1.372222
H 2.991343 -0.642592 -1.451768
H 4.573605 1.461081 0.131254
H 5.100257 0.533053 -1.291470
H 1.704541 -1.257680 0.578778
H 2.476436 0.068024 1.506473
H 5.530795 -0.164520 1.517262
H 5.895486 -1.223452 0.140635
H 3.858463 -2.443048 0.366255
H 3.911016 -1.871289 2.051480
H 2.656243 1.834956 -1.814010
H 2.122377 1.994418 -0.116008
H -2.381539 1.162254 -1.055769
H -1.439329 0.563165 -2.469642
H 0.510320 1.423238 1.168991
H -1.240616 1.203673 1.095114
H -5.798960 -0.214953 0.591057


