%chk=000237871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237871

0 1
S -2.782200 1.027364 0.669413
S -6.567364 0.104279 0.757841
O 4.182936 0.929137 0.275210
O 4.922977 -1.780905 1.862786
O 5.636718 -1.893793 -0.539330
O 4.046307 1.614272 -2.763540
N 2.135666 0.468440 1.352385
N 0.209911 1.632876 1.870988
N 1.134079 -1.142656 -0.303718
N -1.274205 -0.812506 -0.571760
C 3.874806 -1.336913 1.024330
C 3.581746 0.163385 1.321491
C 4.308082 -1.361494 -0.470946
C 4.445306 0.111957 -0.906152
C 3.475348 0.539460 -2.014547
C 1.105840 -0.101168 0.589995
C 1.521250 1.537814 2.096550
C -0.097235 0.628700 0.937438
C -1.291159 0.215441 0.309334
C -0.077989 -1.442226 -0.838998
C -4.010669 0.159679 -0.372316
C -5.269215 0.871538 -0.134374
C -5.651841 2.123928 -0.520739
C -6.990677 2.469180 -0.100684
C -7.616371 1.481842 0.595557
H 3.027600 -2.016483 1.264557
H 4.060170 0.533924 2.261614
H 3.619140 -1.958056 -1.102178
H 5.501357 0.367339 -1.171144
H 2.494385 0.844104 -1.606673
H 3.336862 -0.250275 -2.778902
H 5.808407 -1.491880 1.496787
H 5.616991 -2.871644 -0.414253
H 2.103419 2.164650 2.761929
H 4.110263 2.419536 -2.202893
H -0.117759 -2.272871 -1.563594
H -4.041404 -0.920268 -0.112561
H -3.699856 0.194658 -1.441476
H -5.037616 2.814431 -1.084186
H -7.423770 3.432771 -0.336194
H -8.607535 1.480636 1.014753


%chk=000237871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237871

0 1
S -2.579486 2.819238 0.208760
S -4.579961 -0.505820 -0.099197
O 4.108261 0.673809 0.043601
O 4.338747 -1.623301 2.267334
O 4.462342 -2.929109 -0.035148
O 5.171172 0.814415 -2.621068
N 2.021662 0.987286 1.197444
N 0.425531 2.589299 1.637762
N 0.803347 -0.310883 -0.544746
N -1.416538 0.618257 -0.989625
C 3.293510 -1.213564 1.337499
C 3.336457 0.331765 1.248885
C 3.650455 -1.701397 -0.103249
C 4.525672 -0.569166 -0.675918
C 4.338329 -0.300956 -2.170484
C 0.936626 0.698606 0.361857
C 1.654303 2.136030 1.925960
C -0.045016 1.699618 0.654751
C -1.261420 1.616748 -0.072870
C -0.403668 -0.279821 -1.181664
C -3.915381 2.142663 -1.013033
C -4.922189 1.253236 -0.373557
C -6.194249 1.578334 0.085462
C -6.918654 0.468538 0.653586
C -6.201680 -0.717202 0.636416
H 2.307570 -1.581011 1.678255
H 3.859148 0.726674 2.137602
H 2.726621 -1.838697 -0.690892
H 5.590766 -0.760912 -0.445145
H 3.262997 -0.111861 -2.374560
H 4.676098 -1.175229 -2.752858
H 4.804691 -2.397322 1.837963
H 3.893101 -3.722214 -0.192496
H 2.329477 2.587756 2.650552
H 4.954279 1.597590 -2.052202
H -0.586201 -1.058779 -1.926931
H -3.332332 1.638821 -1.800152
H -4.385078 3.058105 -1.405468
H -6.598885 2.592094 0.018274
H -7.930686 0.548794 1.057243
H -6.497036 -1.702228 0.993855


