%chk=000281307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281307

0 1
S 0.343781 -0.221117 0.900590
O -5.134744 1.228742 0.052513
N -1.733298 1.416922 0.952825
N -1.781521 -2.004715 -0.389439
N -3.534425 -0.457089 -0.208608
N -3.010799 1.723416 0.755100
N -2.607421 -2.997171 -0.971271
C 2.685715 0.376614 -0.117290
C 1.272519 0.833207 -0.267252
C 3.227371 -0.554609 -1.018107
C 3.479901 0.876258 0.927843
C -1.315491 0.214541 0.586796
C -2.225812 -0.765524 -0.010777
C 4.551387 -0.977146 -0.874309
C 4.802524 0.448172 1.066194
C 5.340790 -0.477495 0.166403
C -4.016335 0.794722 0.157464
H 1.140662 1.901244 -0.000412
H 0.888918 0.716237 -1.297698
H 2.618773 -0.949950 -1.829298
H 3.065399 1.594614 1.634486
H 4.968810 -1.698717 -1.575339
H 5.415275 0.836935 1.878605
H 6.371842 -0.808734 0.276292
H -0.807126 -2.307248 -0.261616
H -3.299657 2.669700 1.047059
H -3.058527 -2.625743 -1.824159
H -3.387912 -3.226266 -0.332894


%chk=000281307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281307

0 1
S 0.316640 -0.730730 0.338068
O -5.055369 1.583228 -0.454458
N -1.473015 1.323602 0.015473
N -2.352279 -2.235717 -0.031853
N -3.748762 -0.381338 -0.246001
N -2.753558 1.792179 -0.174778
N -3.446877 -3.098153 -0.325830
C 2.872807 0.402196 0.074544
C 1.425348 0.819330 0.041582
C 3.526296 -0.031715 -1.108574
C 3.606210 0.443301 1.288844
C -1.334239 0.002686 0.076433
C -2.507944 -0.870380 -0.059749
C 4.885995 -0.411264 -1.079457
C 4.966092 0.062998 1.320013
C 5.609492 -0.365170 0.135426
C -3.950080 1.003032 -0.299089
H 1.159434 1.532298 0.835764
H 1.108757 1.226126 -0.931218
H 2.967333 -0.069209 -2.051367
H 3.109308 0.775118 2.208465
H 5.380880 -0.739501 -2.000079
H 5.522448 0.102578 2.262883
H 6.664943 -0.658278 0.157956
H -1.422648 -2.648089 -0.143880
H -2.844317 2.808887 -0.225323
H -4.198152 -2.515731 -0.734542
H -3.774146 -3.562485 0.534445


