%chk=000271936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271936

0 1
S -6.697286 1.308356 -0.588854
O 2.283332 1.745284 1.930096
O 1.575784 -3.574826 0.005799
O -0.169543 -2.450093 -0.920914
O -7.253520 0.210953 -1.352733
O -7.407267 1.874661 0.539810
N 3.195408 0.291140 0.302944
N 2.814643 -0.875976 -0.320373
N -0.171135 0.325328 0.699770
N -1.215545 -0.176279 1.146085
N -6.493051 2.598621 -1.706782
C 1.079539 -0.312311 1.191370
C 1.642655 -1.258640 0.133362
C 2.192546 0.770421 1.245558
C 4.435226 0.931668 -0.079491
C 0.889533 -2.449525 -0.341788
C 4.724102 2.211688 0.422855
C 5.337279 0.268766 -0.931314
C -2.496056 0.286035 0.664105
C -5.085682 0.915822 -0.109480
C 5.928406 2.822432 0.065348
C 6.532911 0.901020 -1.275592
C -3.047809 -0.346611 -0.463920
C -3.220824 1.230848 1.407788
C -4.351464 -0.025331 -0.841095
C -4.523851 1.537349 1.010705
C 6.833221 2.174616 -0.780686
C 0.989627 -4.874842 -0.354247
C -0.145187 -5.206174 0.587835
H 1.002678 -0.823058 2.189628
H 4.027985 2.732161 1.085781
H 5.110793 -0.724269 -1.322684
H 6.159033 3.815429 0.452757
H 7.236606 0.393952 -1.936289
H -2.461683 -1.079349 -1.027678
H -2.777694 1.713179 2.278200
H -4.800608 -0.520934 -1.710716
H -5.108211 2.263985 1.589063
H 7.768433 2.659472 -1.054120
H 0.675227 -4.834456 -1.411988
H 1.873970 -5.527799 -0.228033
H -0.503860 -6.232491 0.437009
H 0.157203 -5.112971 1.639347
H -1.004840 -4.535257 0.436184
H -6.722852 2.430936 -2.683690
H -6.823174 3.523565 -1.440930


%chk=000271936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271936

0 1
S -6.844855 1.811816 -1.081350
O 1.732598 1.995391 1.311564
O 1.731739 -3.762761 -0.234491
O -0.182467 -3.139948 0.968656
O -6.929580 1.254614 -2.609110
O -7.947042 1.473649 0.068479
N 2.936646 0.180745 0.300265
N 2.719863 -1.193525 0.058279
N -0.461476 -0.000944 0.413813
N -1.426958 0.270075 1.235551
N -6.751647 3.643900 -1.199762
C 0.793003 -0.338730 1.150080
C 1.519697 -1.508314 0.522902
C 1.835329 0.800294 0.961304
C 4.180293 0.762165 -0.119814
C 0.932948 -2.864818 0.452857
C 4.439480 2.140504 0.094571
C 5.143465 -0.063801 -0.754096
C -2.668585 0.631147 0.595893
C -5.148373 1.347166 -0.398576
C 5.671174 2.680951 -0.333523
C 6.366269 0.496928 -1.173332
C -2.857382 0.722664 -0.811346
C -3.736169 0.890588 1.491453
C -4.117108 1.086403 -1.319890
C -5.004695 1.254981 0.993761
C 6.639138 1.869722 -0.966871
C 1.217581 -5.169043 -0.325580
C 1.600079 -5.967222 0.923181
H 0.585487 -0.481423 2.229077
H 3.695536 2.771622 0.584220
H 4.923840 -1.122106 -0.911259
H 5.869511 3.745347 -0.167710
H 7.107703 -0.142952 -1.663881
H -2.017401 0.505451 -1.477234
H -3.550583 0.798356 2.565695
H -4.310431 1.145986 -2.395629
H -5.856149 1.437628 1.656114
H 7.591544 2.299214 -1.294986
H 0.122711 -5.133240 -0.463707
H 1.706220 -5.555463 -1.233492
H 1.297153 -7.022631 0.792772
H 2.690478 -5.939451 1.089697
H 1.088545 -5.572072 1.816582
H -6.874875 3.910664 -2.190490
H -7.467258 4.046969 -0.572635


