%chk=000257719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257719

0 1
S -2.879167 -1.886415 0.792587
S -0.792999 -3.047648 -1.037120
O 5.246815 0.338397 1.893977
O 3.767185 1.914382 1.925660
N -1.663550 -0.498718 -1.030312
N 0.401859 0.744971 -1.599873
N 4.213598 0.858178 1.505775
C -2.573506 0.407957 -0.396862
C -0.726090 -0.047465 -2.111428
C -3.320090 -0.203593 0.637594
C -1.682980 -1.786494 -0.523561
C -2.770798 1.759599 -0.709392
C 1.535940 0.083456 -1.033376
C -4.256829 0.510756 1.373822
C -3.715115 2.471798 0.034540
C -4.448302 1.861105 1.064003
C 2.262756 0.742571 -0.024650
C 2.002069 -1.149140 -1.542923
C 3.443842 0.156889 0.445160
C 3.175808 -1.710481 -1.046419
C 3.913852 -1.063984 -0.047060
H -0.359498 -0.947805 -2.675458
H -1.304847 0.592514 -2.826867
H 0.104328 1.572958 -1.071312
H -2.220968 2.247056 -1.509820
H -4.828030 0.034359 2.171117
H -3.886233 3.526283 -0.190508
H 1.929890 1.696340 0.394222
H -5.175565 2.446219 1.626763
H 1.439119 -1.669555 -2.322023
H 3.525456 -2.667867 -1.438644
H 4.836750 -1.500222 0.345186


%chk=000257719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257719

0 1
S -3.331242 -2.200147 0.004911
S -1.306531 -3.121389 -2.162870
O 5.597166 0.719818 1.542083
O 4.343271 2.534361 0.968105
N -1.759384 -0.514248 -1.293564
N 0.378991 0.737377 -1.518601
N 4.564337 1.260540 0.988506
C -2.561558 0.313906 -0.469202
C -0.699277 0.059258 -2.196664
C -3.476441 -0.421142 0.333183
C -2.017831 -1.885104 -1.245550
C -2.546060 1.725839 -0.404469
C 1.485074 0.126404 -0.899483
C -4.359832 0.221219 1.217577
C -3.434604 2.374379 0.480151
C -4.328707 1.633193 1.291100
C 2.447662 0.958355 -0.268561
C 1.682635 -1.284591 -0.893306
C 3.571839 0.367424 0.336631
C 2.825695 -1.838123 -0.278893
C 3.793255 -1.026805 0.348358
H -0.337343 -0.796933 -2.792484
H -1.197740 0.775657 -2.872330
H 0.303632 1.747320 -1.405828
H -1.874670 2.320683 -1.030009
H -5.059038 -0.354649 1.831247
H -3.429967 3.467660 0.537323
H 2.344225 2.047961 -0.242118
H -5.006125 2.154116 1.974884
H 0.947146 -1.954001 -1.353713
H 2.954486 -2.925313 -0.286625
H 4.681635 -1.436623 0.833008


