%chk=000186917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186917

0 1
S 1.418476 -1.298357 1.155062
O 0.229991 0.982059 0.092844
O 1.550410 -2.566084 1.907851
O 2.858065 -0.624124 -3.060930
O 4.962336 -1.138939 -2.500656
O 4.504692 1.100187 1.087342
N -1.997728 0.483576 0.003319
N 2.934064 0.720062 -0.526649
C -2.418046 1.863788 -0.440949
C -0.364626 -1.244721 0.678861
C 2.138986 -1.637705 -0.500180
C -0.663392 0.150832 0.243989
C 3.315248 -0.690226 -0.700391
C -3.066132 -0.482372 0.187131
C -1.776989 2.193940 -1.790126
C -2.048506 2.889329 0.632285
C -3.527997 -1.215922 -0.916791
C -3.631374 -0.656319 1.460365
C 3.853768 -0.848786 -2.133379
C -4.565108 -2.134499 -0.735401
C -4.666414 -1.580381 1.622918
C 3.538738 1.512300 0.473336
C -5.132681 -2.318792 0.529810
C 2.908613 2.860740 0.649163
H -3.535545 1.837073 -0.558722
H -0.628397 -1.996281 -0.085422
H -0.956033 -1.555939 1.565798
H 2.467703 -2.694986 -0.547216
H 1.393771 -1.519980 -1.307926
H 4.171286 -0.938520 0.005008
H -2.098806 3.177748 -2.148881
H -2.035743 1.457833 -2.558187
H -0.678545 2.217518 -1.715712
H -2.370829 3.895794 0.344139
H -2.509215 2.655189 1.597865
H -0.959401 2.927246 0.790182
H 2.031189 0.995632 -0.933148
H -3.085917 -1.067632 -1.900660
H -3.269886 -0.075929 2.308135
H -4.932064 -2.710181 -1.585510
H -5.111783 -1.725456 2.607699
H -5.939337 -3.038687 0.664493
H 1.812493 2.795249 0.755510
H 3.304476 3.350796 1.552263
H 3.121153 3.523757 -0.200827
H 3.188837 -0.688532 -3.996308


%chk=000186917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186917

0 1
S 1.058522 -1.825544 0.836402
O 0.007954 0.657924 -0.841091
O 1.042484 -3.461876 1.153815
O 4.448619 -0.052821 -2.456122
O 5.552496 -1.573600 -1.085327
O 4.818950 1.716851 0.227560
N -2.157916 0.352070 -0.028673
N 2.815887 0.727382 -0.367862
C -2.447750 1.840573 -0.019649
C -0.613246 -1.595467 -0.232789
C 2.361827 -1.672592 -0.627428
C -0.915549 -0.124861 -0.411548
C 3.415449 -0.601613 -0.309731
C -3.269472 -0.534511 0.258748
C -2.442647 2.419601 -1.452709
C -1.514219 2.604615 0.943727
C -3.751216 -1.422847 -0.734529
C -3.901020 -0.479632 1.525949
C 4.601389 -0.790738 -1.281014
C -4.849365 -2.265245 -0.452414
C -5.005028 -1.316301 1.797387
C 3.590479 1.834288 -0.081964
C -5.480201 -2.213375 0.811812
C 2.885525 3.181407 -0.170052
H -3.479504 1.908793 0.371841
H -0.383376 -2.102999 -1.182100
H -1.338847 -2.178212 0.350523
H 2.781252 -2.690715 -0.657266
H 1.802733 -1.427965 -1.543745
H 3.862875 -0.780832 0.688292
H -2.767393 3.475531 -1.422289
H -3.142121 1.865786 -2.104617
H -1.433103 2.373481 -1.890327
H -1.837795 3.659560 1.001582
H -1.552232 2.177020 1.961777
H -0.471894 2.578722 0.590288
H 1.827028 0.811777 -0.656452
H -3.274113 -1.441937 -1.720800
H -3.516735 0.199075 2.295291
H -5.215698 -2.953215 -1.221756
H -5.485354 -1.276931 2.780815
H -6.333359 -2.864955 1.027560
H 1.812342 3.089813 -0.409039
H 3.003280 3.716195 0.788145
H 3.374781 3.792825 -0.948300
H 5.249082 -0.193206 -3.030526


