%chk=000270112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270112

0 1
S -4.801977 0.419323 0.374871
O -5.038281 0.966606 1.696766
O -5.545561 0.948433 -0.757211
O 3.180072 0.812424 -1.015472
O 2.075647 -0.115958 0.799791
O 9.388656 0.377767 -0.632576
O 8.890528 -0.586826 1.238907
N -5.031082 -1.291403 0.505730
N 0.961673 0.892651 -1.023582
N 8.590259 -0.027466 0.196934
C -6.048956 -1.708395 1.514111
C -5.208842 -2.010584 -0.788660
C -7.493897 -1.584598 1.001444
C -6.629958 -1.868806 -1.359668
C -7.675862 -2.320975 -0.332756
C -3.115625 0.528501 -0.014822
C -2.725438 1.123552 -1.220236
C -2.150495 0.050682 0.875611
C -1.376454 1.239729 -1.547762
C -0.791874 0.152882 0.569929
C -0.410622 0.749591 -0.642141
C 2.043117 0.451020 -0.259862
C 4.480583 0.547036 -0.602239
C 5.423144 1.006686 -1.544699
C 4.845289 -0.090459 0.587352
C 7.156909 0.173608 -0.081661
C 6.771317 0.815208 -1.275701
C 6.202315 -0.276710 0.845689
H -5.910831 -1.102440 2.440995
H -5.829968 -2.764877 1.789579
H -4.976070 -3.085215 -0.605608
H -4.454941 -1.647570 -1.519105
H -7.766660 -0.516514 0.880921
H -8.192867 -1.985700 1.758654
H -6.725076 -2.454163 -2.291061
H -6.814174 -0.807539 -1.644054
H -7.601718 -3.413721 -0.173308
H -8.693147 -2.136010 -0.727253
H -3.488228 1.504617 -1.914389
H -2.451019 -0.409026 1.824522
H -1.085745 1.706165 -2.486361
H -0.043935 -0.226129 1.274063
H 1.165186 1.361194 -1.916193
H 5.086654 1.498786 -2.457020
H 4.091937 -0.437690 1.304082
H 7.540719 1.156350 -1.979794
H 6.531600 -0.772537 1.768040


%chk=000270112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270112

0 1
S -4.908491 0.462694 0.472371
O -5.136860 0.973699 2.003456
O -5.664410 1.213472 -0.776139
O 3.244160 0.754438 -0.985679
O 2.158167 -0.075885 0.974233
O 9.590437 0.441886 -0.864353
O 9.155265 -0.415846 1.205552
N -5.163662 -1.437399 0.547300
N 1.008742 0.800145 -0.902783
N 8.778203 0.078906 0.073297
C -6.277083 -1.765244 1.490360
C -5.332130 -2.008218 -0.826227
C -7.697080 -1.599934 0.902476
C -6.744988 -1.853260 -1.439108
C -7.828447 -2.341288 -0.448771
C -3.072208 0.511282 0.062937
C -2.695089 1.047456 -1.178658
C -2.144493 0.070863 1.020223
C -1.321543 1.130997 -1.474053
C -0.769330 0.153284 0.723095
C -0.357151 0.683484 -0.530605
C 2.117313 0.432464 -0.165440
C 4.593001 0.540604 -0.614047
C 5.513161 0.929099 -1.618975
C 5.031300 0.000406 0.621283
C 7.326750 0.240551 -0.166411
C 6.891009 0.779794 -1.398498
C 6.415000 -0.147266 0.838200
H -6.138249 -1.143646 2.392516
H -6.096755 -2.821962 1.777212
H -5.083648 -3.083716 -0.710001
H -4.558318 -1.568269 -1.482235
H -7.909792 -0.521870 0.762298
H -8.433893 -1.983648 1.633748
H -6.788386 -2.431400 -2.382249
H -6.915059 -0.789672 -1.688703
H -7.717575 -3.433841 -0.282804
H -8.835355 -2.182578 -0.876955
H -3.460222 1.402375 -1.876775
H -2.484158 -0.324883 1.981828
H -0.999178 1.547830 -2.435723
H -0.023493 -0.183115 1.445287
H 1.213931 1.202211 -1.820548
H 5.131613 1.341983 -2.556671
H 4.312314 -0.294997 1.385106
H 7.627584 1.068913 -2.151984
H 6.795398 -0.559397 1.776416


