%chk=000236499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236499

0 1
S -4.129419 0.810200 0.428665
O 2.700710 0.321633 1.276466
O 3.852219 2.056817 -1.195129
O 2.904360 -1.189190 -1.924167
O 3.797597 -2.325533 2.301001
N 0.814310 1.467565 0.466580
N -1.260323 2.149340 1.218394
N 0.048736 -0.471442 -0.948759
N -2.382625 -0.732618 -0.920441
C 2.825917 1.081834 -1.001397
C 2.290637 1.387479 0.422112
C 3.431427 -0.349261 -0.920210
C 3.087318 -0.858281 0.500950
C 4.269389 -1.464013 1.263610
C -0.123802 0.591876 -0.099763
C 0.051034 2.380349 1.280411
C -1.420440 1.040633 0.369296
C -2.545957 0.321504 -0.085635
C -1.111585 -1.081897 -1.312920
C -5.284862 -0.371347 -0.323925
C -5.416456 -1.611153 0.551374
C -6.501836 -2.546386 0.019812
H 2.064407 1.163664 -1.806269
H 2.731847 2.314882 0.869008
H 4.523662 -0.339767 -1.137389
H 2.208475 -1.542686 0.498873
H 4.918852 -0.678848 1.694397
H 4.862934 -2.147414 0.623079
H 4.136020 2.067778 -2.136739
H 1.916130 -1.289399 -1.827708
H 0.537215 3.161804 1.852313
H 3.298875 -1.804495 2.970051
H -1.032932 -1.947083 -1.993050
H -4.962874 -0.641787 -1.350990
H -6.248502 0.168203 -0.421736
H -4.446675 -2.152342 0.588632
H -5.648458 -1.330325 1.599130
H -6.282950 -2.881227 -1.001102
H -6.586071 -3.443702 0.644490
H -7.485903 -2.064767 0.006383


%chk=000236499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236499

0 1
S -4.298310 1.009320 0.460977
O 2.502071 -0.262419 1.275009
O 3.995516 1.802086 -0.766382
O 2.261566 -1.352369 -1.770602
O 4.885264 -1.318741 2.417306
N 0.740952 1.199539 0.596707
N -1.264798 2.100745 1.285685
N -0.144689 -0.666887 -0.796076
N -2.582497 -0.731176 -0.825752
C 2.838278 0.896777 -0.840372
C 2.196233 0.988602 0.572068
C 3.241993 -0.605354 -1.018987
C 3.428998 -1.103369 0.435038
C 4.848516 -0.945583 1.001051
C -0.261141 0.417096 0.019690
C 0.071189 2.184541 1.352817
C -1.497948 0.990948 0.452780
C -2.685175 0.362730 -0.010555
C -1.347841 -1.187223 -1.179377
C -5.443777 -0.249276 -0.388621
C -5.661293 -1.517609 0.451348
C -6.646183 -2.483536 -0.247293
H 2.144455 1.199298 -1.647604
H 2.647790 1.845007 1.105721
H 4.185120 -0.683753 -1.590280
H 3.074143 -2.140365 0.553840
H 5.202987 0.095280 0.848953
H 5.537833 -1.642432 0.493232
H 4.459702 1.811508 -1.640710
H 1.321640 -1.185611 -1.383066
H 0.621026 2.929677 1.924780
H 4.136461 -0.840640 2.861337
H -1.316585 -2.059116 -1.837657
H -4.981133 -0.486533 -1.360278
H -6.380181 0.314175 -0.545740
H -4.687840 -2.018699 0.601537
H -6.047185 -1.243945 1.451622
H -6.269021 -2.787951 -1.241280
H -6.787228 -3.398781 0.355195
H -7.638503 -2.015362 -0.388361


