%chk=000208540.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208540

0 1
S -1.395493 -1.984314 1.285548
O 4.110261 -0.184208 0.456963
O -2.168192 -1.791698 0.065502
O -1.377938 -3.292880 1.917613
N -4.340064 1.454157 -0.172027
N -1.980229 -0.943310 2.519005
C -4.578792 0.125513 0.482423
C -4.185800 0.193050 1.967577
C -2.664381 0.324791 2.167057
C -4.169408 1.301290 -1.657095
C -5.447145 2.417451 0.147943
C -2.819228 0.654595 -1.966278
C -4.983244 3.853352 -0.105264
C 0.205744 -1.433065 1.004720
C 0.479053 -0.584507 -0.072548
C 1.245657 -1.844484 1.857258
C 6.019634 0.852475 -0.398637
C 2.799374 -0.543323 0.554512
C 4.519886 0.704450 -0.636899
C 1.774786 -0.126898 -0.312475
C 2.544305 -1.407477 1.645625
C 6.656366 1.763487 -1.454704
C 8.157176 1.916649 -1.223782
H -3.941785 -0.646851 -0.028043
H -5.626863 -0.224683 0.384539
H -4.686659 1.058818 2.446399
H -4.577245 -0.702013 2.485998
H -2.200817 0.767913 1.254259
H -2.458461 1.045469 2.992582
H -4.988627 0.710754 -2.121984
H -4.205507 2.314026 -2.116691
H -6.377968 2.210265 -0.422642
H -5.705049 2.305396 1.225479
H -2.404667 -1.399993 3.336726
H -1.994446 1.270203 -1.592980
H -2.727798 -0.335821 -1.479184
H -2.686678 0.508912 -3.041199
H -4.026138 4.047176 0.397286
H -4.826781 4.050013 -1.171980
H -5.715388 4.575608 0.267767
H -0.332805 -0.277333 -0.745509
H 1.030216 -2.523366 2.691207
H 6.199245 1.250956 0.621011
H 6.499972 -0.147602 -0.404343
H 4.281440 0.211477 -1.593904
H 3.970759 1.655250 -0.536930
H 1.970138 0.530114 -1.152232
H 3.366403 -1.711786 2.289748
H 6.475761 1.353653 -2.468562
H 6.173343 2.760866 -1.437148
H 8.374614 2.355408 -0.242704
H 8.676048 0.951827 -1.271741
H 8.609617 2.568447 -1.980465


%chk=000208540-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208540

0 1
S -1.480881 -2.165176 1.323000
O 4.173648 -0.152221 0.616396
O -2.245187 -2.001997 -0.115466
O -1.418978 -3.602673 2.088567
N -4.344239 1.446838 -0.209196
N -2.153520 -1.038914 2.637603
C -4.707110 0.151016 0.431938
C -4.361579 0.125723 1.938454
C -2.838872 0.219282 2.235240
C -4.142667 1.311058 -1.682165
C -5.307720 2.534970 0.120229
C -2.769889 0.722275 -2.057790
C -4.684741 3.940169 0.011910
C 0.253386 -1.503811 1.081987
C 0.531800 -0.752074 -0.067798
C 1.226112 -1.817747 2.051656
C 6.071081 0.953038 -0.400688
C 2.846208 -0.569097 0.705216
C 4.581236 0.647244 -0.560637
C 1.846602 -0.274754 -0.259618
C 2.533314 -1.343938 1.856009
C 6.618592 1.795649 -1.576714
C 8.126828 2.090973 -1.431701
H -4.142571 -0.655626 -0.067403
H -5.795136 -0.076846 0.300436
H -4.873586 0.964115 2.449663
H -4.775806 -0.801052 2.386032
H -2.327466 0.655172 1.356179
H -2.650897 0.915351 3.076334
H -4.955536 0.692309 -2.138814
H -4.230020 2.318494 -2.129446
H -6.222552 2.473836 -0.522764
H -5.652646 2.385463 1.159968
H -2.728945 -1.672684 3.224178
H -1.965588 1.377216 -1.674114
H -2.628073 -0.288206 -1.635083
H -2.672623 0.651570 -3.157991
H -3.816254 4.023083 0.688744
H -4.335535 4.157955 -1.013679
H -5.424759 4.715792 0.285420
H -0.254367 -0.561376 -0.805198
H 0.966950 -2.428140 2.921932
H 6.228348 1.490545 0.553892
H 6.627912 -0.000719 -0.329150
H 4.390517 0.063222 -1.484915
H 3.981391 1.580423 -0.596147
H 2.075492 0.312026 -1.152844
H 3.329327 -1.560004 2.574151
H 6.437689 1.261802 -2.532000
H 6.059684 2.751516 -1.640342
H 8.334108 2.648574 -0.499321
H 8.712603 1.153419 -1.399545
H 8.501117 2.695134 -2.277808


