%chk=000257570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257570

0 1
S -1.697278 0.940625 -1.121998
O -0.700227 0.886661 0.350732
O 1.501404 2.405547 -0.059720
O -0.470003 -1.755801 0.638909
O -1.774642 2.328066 -1.470317
O -1.141798 -0.021981 -2.029282
N 4.217138 0.897548 0.010212
N 0.522578 0.299879 0.121255
N 1.817171 -1.715319 0.505424
N 4.287616 -1.363433 0.355997
C 2.888342 0.461135 0.123247
C 2.967861 -0.945062 0.334115
C 1.654009 1.217176 0.065378
C 0.534221 -1.102063 0.454711
C 5.026128 -0.219475 0.154233
C 4.629658 2.281487 -0.225111
C -3.161477 0.412915 -0.405234
C -4.209635 1.326139 -0.220839
C -3.310015 -0.919525 -0.003969
C -5.408781 0.902811 0.353206
C -4.512921 -1.342406 0.571667
C -5.559382 -0.433157 0.748901
H 1.885254 -2.726666 0.654821
H 6.108682 -0.203619 0.112903
H 3.742005 2.957253 -0.248488
H 5.300412 2.640078 0.576496
H 5.145954 2.382784 -1.197880
H -4.088144 2.372176 -0.527627
H -2.483569 -1.635760 -0.128661
H -6.225025 1.609657 0.495932
H -4.627169 -2.379863 0.884937
H -6.497267 -0.762707 1.199052


%chk=000257570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257570

0 1
S -1.588788 1.215550 -0.680772
O -0.509968 0.997503 1.195244
O 1.653680 2.506523 0.482978
O -0.408408 -1.737440 1.140033
O -1.842436 2.731100 -1.212840
O -0.664755 0.187200 -1.553758
N 4.242102 0.845668 -0.204912
N 0.655337 0.377746 0.881733
N 1.843268 -1.678093 0.540084
N 4.206403 -1.444192 -0.144824
C 2.945903 0.466155 0.187455
C 2.968461 -0.939700 0.207079
C 1.785623 1.257887 0.497008
C 0.623080 -1.081838 0.859624
C 4.950471 -0.328824 -0.387569
C 4.727972 2.226624 -0.399519
C -3.269018 0.468388 -0.240185
C -4.397880 1.259672 -0.515084
C -3.305819 -0.812554 0.331496
C -5.661827 0.702220 -0.214899
C -4.584914 -1.343728 0.621860
C -5.752914 -0.593002 0.348096
H 1.869114 -2.699919 0.517635
H 5.993090 -0.344549 -0.696102
H 3.913438 2.920151 -0.141641
H 5.594919 2.421620 0.253419
H 5.014678 2.385691 -1.452513
H -4.290359 2.259668 -0.946351
H -2.384737 -1.358357 0.568131
H -6.567829 1.281474 -0.420449
H -4.660104 -2.339023 1.071399
H -6.736684 -1.014521 0.581143


