%chk=000237527.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237527

0 1
S -1.128050 -0.132828 0.946187
O -1.541654 -1.391553 1.538663
O -1.365647 1.118130 1.648739
O 5.289118 1.612978 -0.561209
N 4.680308 -0.595041 -0.269619
C -1.854712 0.009783 -0.669624
C 0.560752 -0.244840 0.578614
C -3.345377 0.114870 -0.586664
C 1.327501 0.913757 0.413157
C 1.174191 -1.499607 0.495795
C 3.296193 -0.432261 0.019247
C 2.687045 0.832806 0.123392
C 2.532039 -1.608341 0.210662
C -3.938876 1.191875 0.092991
C -4.155954 -0.846948 -1.208544
C -5.329274 1.303120 0.142883
C -5.548052 -0.727615 -1.153756
C -6.137558 0.347072 -0.482599
C 5.613959 0.447066 -0.536460
C 7.008518 -0.050697 -0.782105
H -1.462477 0.900103 -1.207050
H -1.557925 -0.843018 -1.313769
H 0.860838 1.900472 0.522339
H 0.583024 -2.408620 0.666682
H 3.277230 1.746778 -0.011672
H 2.992672 -2.590515 0.148592
H -3.313510 1.930076 0.605784
H -3.707920 -1.692028 -1.725711
H -5.784956 2.136548 0.676276
H -6.173327 -1.478495 -1.633972
H 5.022312 -1.559939 -0.275088
H -7.220643 0.437328 -0.440551
H 7.428775 -0.579350 0.084819
H 7.678992 0.803739 -0.985357
H 7.075944 -0.717105 -1.652772


%chk=000237527-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237527

0 1
S -1.162792 -0.268837 0.867275
O -1.603990 -1.792234 1.283008
O -1.423187 1.020370 1.843770
O 5.551055 1.684214 -0.156318
N 4.818066 -0.543260 -0.300198
C -2.045643 0.143223 -0.913120
C 0.685982 -0.320967 0.477941
C -3.514208 0.212102 -0.722962
C 1.427348 0.870314 0.535871
C 1.268171 -1.568700 0.197127
C 3.429669 -0.418282 -0.031056
C 2.812743 0.828110 0.274770
C 2.650855 -1.610693 -0.059569
C -4.133992 1.439394 -0.359815
C -4.313657 -0.955698 -0.861722
C -5.528747 1.500964 -0.161869
C -5.708312 -0.890967 -0.663902
C -6.319289 0.337522 -0.317119
C 5.797695 0.460869 -0.351339
C 7.196959 -0.065829 -0.665386
H -1.555221 1.093500 -1.172000
H -1.683379 -0.697258 -1.523579
H 0.939435 1.811169 0.812139
H 0.657984 -2.477764 0.214459
H 3.422050 1.732425 0.309223
H 3.130548 -2.573559 -0.275922
H -3.518522 2.335497 -0.222488
H -3.837163 -1.910039 -1.112539
H -5.998999 2.449492 0.118844
H -6.317861 -1.794545 -0.772284
H 5.145769 -1.495817 -0.479830
H -7.403025 0.386427 -0.162974
H 7.543661 -0.771331 0.112395
H 7.890802 0.785726 -0.702612
H 7.222692 -0.587838 -1.639919


