%chk=000215554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215554

0 1
S -1.709033 1.126883 1.804045
P -0.137003 -0.003939 1.073589
O 1.100932 0.857013 1.718041
O -0.212243 -1.332823 2.034642
O -0.110849 -0.239948 -0.396948
O -4.420017 1.479523 -0.263929
N -2.745852 0.370067 -1.358071
C 2.443500 0.320658 1.571899
C -0.092018 -2.632700 1.389337
C 2.946804 0.458184 0.135006
C 1.379241 -2.988737 1.171105
C 4.445251 0.190200 0.061260
C 1.812133 -2.870770 -0.284565
C -2.172689 2.074090 0.319688
C -3.226771 1.281605 -0.434231
C -3.684655 -0.472036 -2.126634
H 2.477831 -0.727766 1.941509
H 3.002873 0.972131 2.274882
H -0.690666 -2.669248 0.459998
H -0.566954 -3.278728 2.156995
H 2.402326 -0.240413 -0.545302
H 2.716382 1.474431 -0.246431
H 2.017639 -2.337266 1.815802
H 1.564490 -4.020166 1.534310
H 4.808292 0.284988 -0.970193
H 4.697555 -0.820688 0.401807
H 5.018640 0.899925 0.669884
H 2.865808 -3.143025 -0.411011
H 1.690587 -1.843293 -0.674656
H 1.223756 -3.523807 -0.939874
H -1.319730 2.382421 -0.313397
H -2.629895 3.023071 0.688140
H -1.744892 0.148622 -1.458686
H -3.575923 -1.534398 -1.854163
H -3.497963 -0.357991 -3.207274
H -4.734086 -0.174373 -1.926973


%chk=000215554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215554

0 1
S -1.557696 0.886542 2.122650
P 0.246322 0.326021 0.850907
O 1.542335 1.035908 1.716968
O 0.578694 -1.347104 1.146094
O 0.057031 0.707817 -0.696309
O -4.631654 0.653673 0.174484
N -2.747906 0.307856 -1.177576
C 2.959345 0.673043 1.367765
C -0.348175 -2.359123 0.547286
C 3.439131 1.360462 0.083436
C 0.128801 -3.729291 1.030654
C 4.932329 1.054278 -0.175050
C 1.539168 -4.098877 0.526324
C -2.544053 1.795947 0.754990
C -3.409297 0.863694 -0.101764
C -3.416532 -0.607535 -2.106977
H 3.042596 -0.428361 1.304206
H 3.515629 1.030155 2.250891
H -0.300298 -2.274435 -0.555771
H -1.377813 -2.141056 0.892657
H 2.826718 1.022529 -0.773728
H 3.284317 2.450860 0.180366
H 0.100344 -3.744458 2.136095
H -0.610127 -4.477727 0.679643
H 5.274420 1.549482 -1.100596
H 5.108047 -0.031750 -0.290895
H 5.568828 1.414786 0.654577
H 1.843133 -5.092518 0.900862
H 2.281289 -3.358755 0.872076
H 1.573922 -4.127807 -0.579058
H -1.821126 2.375792 0.159188
H -3.201164 2.470488 1.324683
H -1.736794 0.500827 -1.281359
H -2.959636 -1.615557 -2.078487
H -3.363680 -0.227292 -3.143543
H -4.473646 -0.686817 -1.806087


