%chk=000208168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208168

0 1
S 5.922587 -1.520154 0.306322
P 6.623622 0.393203 0.590029
O -3.940326 2.305605 -0.756782
O -4.363565 -2.163342 0.118120
O 7.780161 0.148781 1.745669
O 7.525075 0.563299 -0.779426
O 5.692948 1.501167 0.893347
N -4.136273 0.070930 -0.312858
N 2.093444 -0.615642 -0.787593
C -2.870239 -0.197167 -1.071340
C -1.655515 -0.149520 -0.132992
C -0.359890 -0.370020 -0.920925
C -6.785172 0.503664 0.614547
C -5.827163 1.691540 0.591170
C -6.060111 -0.759744 1.069948
C -4.575908 1.426178 -0.214364
C -4.810350 -1.045985 0.269142
C 0.859637 -0.345350 0.015099
C 3.331291 -0.542900 0.052927
C 4.441895 -1.225125 -0.743299
H -2.775103 0.566039 -1.878209
H -2.953537 -1.198444 -1.554236
H -1.622435 0.826364 0.391131
H -1.760641 -0.922721 0.654503
H -0.256511 0.403308 -1.706938
H -0.393106 -1.342729 -1.454566
H -7.640295 0.716314 1.287268
H -7.225501 0.348755 -0.392771
H -6.328975 2.594608 0.177823
H -5.524975 1.979324 1.622200
H -5.779317 -0.692068 2.144063
H -6.731729 -1.644617 1.005317
H 0.902017 0.618745 0.567101
H 0.765558 -1.150362 0.778334
H 2.162434 0.065528 -1.552838
H 3.604618 0.503851 0.329698
H 3.154489 -1.084663 1.010330
H 4.118543 -2.238865 -1.073320
H 4.703382 -0.673594 -1.665310
H 7.711320 0.706639 2.566566
H 7.964714 1.438368 -0.941186


%chk=000208168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208168

0 1
S 6.075359 -1.660521 0.135724
P 6.819216 0.474404 0.019048
O -3.862313 2.438530 -0.407535
O -4.372176 -2.173709 0.017799
O 7.088417 1.120615 1.615768
O 8.480164 0.209041 -0.325681
O 5.957494 1.422931 -0.926357
N -4.169629 0.132149 -0.261622
N 2.112405 -0.606790 -0.673013
C -2.886719 -0.077618 -0.994535
C -1.671388 -0.118140 -0.044223
C -0.357373 -0.342629 -0.823669
C -6.869663 0.505454 0.565824
C -5.891313 1.683121 0.727962
C -6.163525 -0.804340 0.961070
C -4.578058 1.475004 -0.019610
C -4.853710 -1.024268 0.211864
C 0.870176 -0.405068 0.105536
C 3.345451 -0.773333 0.115179
C 4.438702 -1.357750 -0.793042
H -2.780258 0.754191 -1.710664
H -2.973682 -1.033256 -1.537519
H -1.617143 0.835166 0.515965
H -1.812863 -0.935550 0.689120
H -0.220524 0.479215 -1.558294
H -0.408813 -1.285120 -1.402099
H -7.762744 0.662361 1.196342
H -7.217426 0.445257 -0.482741
H -6.314652 2.635835 0.368216
H -5.646904 1.830335 1.800014
H -5.932473 -0.799808 2.046056
H -6.789329 -1.693360 0.776110
H 0.899758 0.518668 0.737144
H 0.761295 -1.262352 0.799248
H 2.221990 0.107808 -1.406145
H 3.715098 0.175868 0.577204
H 3.137700 -1.477648 0.942441
H 4.149497 -2.349684 -1.177208
H 4.666636 -0.686896 -1.638578
H 6.309021 1.578778 2.021271
H 9.085397 0.872308 0.099328


