%chk=000254219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254219

0 1
S -1.119012 0.875898 2.484342
O -0.689480 -0.087335 -2.933047
N 3.682169 -1.713846 -0.485017
C -0.395096 0.000585 -0.534699
C 0.738707 -1.029003 -0.801687
C 0.219655 1.242508 0.082618
C -1.510706 -0.690331 0.228093
C 1.376653 -1.554332 0.486563
C -1.025375 0.439997 -1.900772
C -0.042889 1.693974 1.375296
C -1.886226 -0.374918 1.533363
C 2.577209 -2.471067 0.194459
C -2.058658 1.538979 -1.811753
C 1.134501 1.982325 -0.698639
C -2.205712 -1.733712 -0.421660
C 0.563199 2.848182 1.893903
C -2.917574 -1.059859 2.193008
C 1.745172 3.128142 -0.195775
C -3.231115 -2.422374 0.221369
C -2.829300 1.709179 -3.113504
C 1.458795 3.566382 1.105012
C -3.590295 -2.086678 1.534338
C 4.709145 -2.666148 -1.007046
C 4.318476 -0.732075 0.442777
H 0.343573 -1.866841 -1.409086
H 1.521824 -0.568375 -1.443394
H 1.695017 -0.705232 1.125398
H 0.630307 -2.115933 1.082216
H 2.904806 -2.957336 1.138536
H 2.255872 -3.288570 -0.488475
H -2.758217 1.338595 -0.971776
H -1.549431 2.489627 -1.538062
H 1.379025 1.643511 -1.708512
H -1.932057 -2.009970 -1.443095
H 0.338421 3.185552 2.907027
H -3.195645 -0.794533 3.214325
H 2.449466 3.684302 -0.813392
H -3.755225 -3.224818 -0.296370
H -3.494673 2.578136 -3.073425
H -3.441211 0.826038 -3.336836
H -2.147543 1.841917 -3.965745
H 1.935596 4.463587 1.496043
H -4.391938 -2.626161 2.035957
H 4.238237 -3.326459 -1.752800
H 5.195062 -3.291254 -0.244501
H 5.490390 -2.095445 -1.534128
H 3.552580 -0.011701 0.778627
H 5.079554 -0.159442 -0.109699
H 4.791966 -1.172370 1.331627


%chk=000254219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254219

0 1
S -1.140736 0.858994 2.621047
O -0.599151 -0.063049 -2.985720
N 3.709634 -1.784068 -0.475568
C -0.364026 0.029821 -0.526543
C 0.783048 -1.010344 -0.761710
C 0.226838 1.288776 0.138909
C -1.530573 -0.657401 0.217075
C 1.399619 -1.557347 0.541074
C -0.964929 0.480194 -1.912224
C -0.025762 1.724433 1.461526
C -1.934203 -0.388264 1.547326
C 2.618308 -2.465309 0.265231
C -2.013298 1.596227 -1.891096
C 1.142722 2.057844 -0.633470
C -2.238565 -1.675307 -0.482677
C 0.605423 2.880136 1.989119
C -2.995513 -1.106933 2.153871
C 1.777844 3.205682 -0.123095
C -3.294079 -2.396589 0.107858
C -2.969406 1.554287 -3.098737
C 1.507543 3.620777 1.202249
C -3.675328 -2.111795 1.439486
C 4.693699 -2.743730 -1.014506
C 4.359822 -0.710573 0.303007
H 0.384471 -1.844503 -1.368684
H 1.580395 -0.550768 -1.371874
H 1.692230 -0.723625 1.207891
H 0.650522 -2.152053 1.099916
H 2.987871 -2.884445 1.238740
H 2.290188 -3.325782 -0.351045
H -2.565512 1.561731 -0.933813
H -1.458929 2.557718 -1.881082
H 1.362172 1.735589 -1.658850
H -1.945421 -1.904503 -1.513832
H 0.385340 3.194636 3.015587
H -3.285318 -0.874460 3.184905
H 2.476390 3.769410 -0.750078
H -3.813083 -3.172822 -0.464064
H -3.638732 2.432643 -3.094326
H -3.594433 0.643721 -3.075512
H -2.402522 1.544969 -4.044755
H 1.990227 4.511266 1.618784
H -4.493399 -2.661552 1.916960
H 4.181535 -3.476599 -1.663327
H 5.246161 -3.311332 -0.221223
H 5.439964 -2.207407 -1.628308
H 3.628202 0.071130 0.569758
H 5.146958 -0.237493 -0.311209
H 4.833793 -1.080632 1.249009


