%chk=000285290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285290

0 1
S 5.499350 -0.417625 0.730407
O -3.622052 -0.685056 -0.631648
O -2.774972 -1.816524 1.126337
N 0.129387 1.082490 -1.403708
C 1.384709 0.688112 -0.836642
C -1.125859 0.520992 -1.124194
C 2.333771 1.697533 -0.573655
C 1.697231 -0.664624 -0.610906
C 3.886206 0.001476 0.165894
C 3.585824 1.346020 -0.067372
C 2.953859 -1.002527 -0.105677
C -2.213419 1.010536 -2.024141
C -1.333719 -0.368802 -0.115963
C -2.575948 -1.028610 0.224842
C -4.928866 -1.276578 -0.363816
C -5.610173 -0.530042 0.766103
C 5.206918 -0.888585 2.452900
H 0.157942 1.899913 -2.015331
H 2.095557 2.744180 -0.748048
H 0.972273 -1.447441 -0.839483
H 4.322365 2.124144 0.145821
H 3.201648 -2.052491 0.065700
H -3.048529 1.429500 -1.430024
H -1.916784 1.755700 -2.767860
H -2.669877 0.157601 -2.564809
H -0.526691 -0.648273 0.570534
H -5.429201 -1.142399 -1.338680
H -4.791869 -2.349486 -0.135561
H -6.643755 -0.865265 0.904551
H -5.078834 -0.694257 1.716896
H -5.623998 0.551200 0.586932
H 4.542845 -1.755439 2.533115
H 4.778871 -0.064204 3.033189
H 6.177086 -1.154269 2.893196


%chk=000285290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285290

0 1
S 5.714383 -0.488908 0.619454
O -3.738747 -0.754271 -0.659314
O -2.851728 -1.735252 1.272150
N 0.125889 1.117286 -1.259071
C 1.389475 0.700120 -0.755525
C -1.159895 0.601152 -1.047587
C 2.415454 1.678648 -0.646894
C 1.693044 -0.653364 -0.441410
C 4.004408 -0.024867 0.108213
C 3.709188 1.319785 -0.217503
C 2.991000 -1.004458 -0.020108
C -2.183452 1.169684 -2.014084
C -1.431185 -0.317148 -0.047064
C -2.690290 -0.983285 0.268639
C -5.032510 -1.425305 -0.342538
C -5.867423 -0.586952 0.631478
C 5.405353 -0.924895 2.436322
H 0.160412 1.955459 -1.843366
H 2.194031 2.726940 -0.883372
H 0.938124 -1.433157 -0.567302
H 4.488911 2.082338 -0.124078
H 3.223100 -2.054973 0.186279
H -3.145925 1.343826 -1.514233
H -1.824854 2.114619 -2.464596
H -2.380158 0.453377 -2.831770
H -0.640608 -0.588367 0.657087
H -5.522605 -1.525329 -1.325277
H -4.817765 -2.422474 0.080263
H -6.852550 -1.064846 0.789769
H -5.360277 -0.510995 1.607689
H -6.037360 0.429509 0.234591
H 4.663029 -1.733961 2.509974
H 5.060768 -0.035151 2.984261
H 6.372058 -1.267882 2.837819


