%chk=000208170.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208170

0 1
S 6.750600 -0.248461 1.437868
P 7.556156 0.620813 -0.244113
O -4.057420 -2.342436 1.125398
O -2.978633 0.749636 -2.116392
O 6.321469 1.660755 -0.616269
O 8.686445 1.595546 0.465078
O 8.063915 -0.156884 -1.389847
N -3.228913 -0.962321 -0.555149
N 3.008292 -1.167725 0.109356
C -5.330643 -0.342275 0.404136
C -5.131717 0.419302 -0.934569
C -5.208818 0.505608 1.681687
C -5.513354 1.900192 -0.958120
C -5.858402 1.882708 1.532914
C -5.230811 2.633897 0.354576
C -4.185507 -1.369190 0.427294
C -3.664023 0.173251 -1.310508
C -1.897428 -1.599397 -0.712627
C -0.785419 -0.691797 -0.165086
C 0.582859 -1.363626 -0.315739
C 1.701416 -0.445199 0.203385
C 4.155846 -0.298331 0.519932
C 5.355742 -1.217205 0.737981
H -6.314877 -0.862965 0.400084
H -5.743757 -0.097282 -1.722619
H -5.664956 -0.047451 2.527440
H -4.140886 0.638679 1.954477
H -4.973668 2.400101 -1.792303
H -6.592361 1.986558 -1.200402
H -6.950753 1.780796 1.385116
H -5.730607 2.460286 2.468569
H -4.138430 2.738721 0.505834
H -5.628379 3.665370 0.300224
H -1.732804 -1.808288 -1.794099
H -1.913714 -2.577307 -0.175561
H -0.800662 0.278401 -0.705473
H -0.979716 -0.452538 0.898574
H 0.606180 -2.322948 0.242257
H 0.764280 -1.626314 -1.376112
H 1.694728 0.518909 -0.350138
H 1.523835 -0.201937 1.275275
H 3.154587 -1.495691 -0.852424
H 4.383950 0.505030 -0.219438
H 3.895080 0.224011 1.469714
H 5.123013 -1.994666 1.499881
H 5.642748 -1.770275 -0.176275
H 6.394959 2.180345 -1.457899
H 9.598758 1.578895 0.066014


%chk=000208170-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208170

0 1
S 6.907108 -0.530073 1.539439
P 7.540502 0.763152 -0.208192
O -3.700284 -2.178865 1.395048
O -3.391434 0.566094 -2.390887
O 7.425785 2.354827 0.427823
O 9.277898 0.740653 -0.301338
O 6.794417 0.430671 -1.575422
N -3.261949 -0.937989 -0.569845
N 3.034967 -0.955916 0.033865
C -5.263916 -0.381325 0.589798
C -5.357117 0.148524 -0.873288
C -4.989432 0.742401 1.641669
C -5.999978 1.536320 -1.088661
C -5.873482 1.986225 1.410295
C -5.618804 2.564069 -0.000113
C -4.038207 -1.305238 0.559549
C -3.915018 0.012378 -1.393892
C -1.907554 -1.454993 -0.831246
C -0.816110 -0.637034 -0.105244
C 0.594777 -1.195182 -0.390519
C 1.697093 -0.397736 0.333335
C 4.167055 -0.313897 0.729061
C 5.370743 -1.268604 0.682867
H -6.162848 -0.947747 0.886422
H -5.935801 -0.590850 -1.467298
H -5.134653 0.320789 2.652434
H -3.927081 1.055632 1.575222
H -5.707720 1.902063 -2.090871
H -7.101246 1.416083 -1.093645
H -6.945160 1.719299 1.516711
H -5.651232 2.743461 2.185963
H -4.548322 2.837538 -0.095056
H -6.200904 3.492158 -0.153048
H -1.747141 -1.419778 -1.923822
H -1.883782 -2.506380 -0.491688
H -0.877999 0.418584 -0.434182
H -1.013367 -0.659585 0.984275
H 0.661789 -2.254293 -0.074540
H 0.784676 -1.173322 -1.484718
H 1.607675 0.683719 0.059908
H 1.538695 -0.464075 1.427994
H 3.200950 -1.013978 -0.980916
H 4.455928 0.675128 0.300513
H 3.876934 -0.137815 1.781421
H 5.165628 -2.202580 1.231200
H 5.658990 -1.504635 -0.355499
H 8.131116 2.970433 0.095336
H 9.666012 -0.013008 -0.814314


