%chk=000217312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217312

0 1
S 3.572843 -0.608028 0.695938
P 1.970127 -1.084799 -0.517309
O 0.833223 -0.321039 0.469891
O 1.656775 -2.672029 -0.338723
O 2.000321 -0.650093 -1.922504
O -4.920300 0.646283 -1.867065
O -5.275466 0.894923 0.251371
N -4.548116 0.668168 -0.704070
C 4.358334 0.767237 -0.261460
C 5.833710 0.735981 0.109528
C -0.459815 -0.112647 0.075186
C 6.585454 1.866878 -0.591376
C 1.757669 -3.333350 0.954358
C -0.912113 -0.124875 -1.255095
C -1.326358 0.165748 1.156399
C -3.129305 0.401828 -0.433695
C -2.256181 0.132813 -1.503617
C -2.662744 0.425477 0.896516
C 0.673445 -2.893396 1.914061
H 3.875187 1.718805 0.032907
H 4.211149 0.642807 -1.354909
H 6.286849 -0.238847 -0.171154
H 5.968874 0.828413 1.207831
H 6.200527 2.853326 -0.306798
H 7.651645 1.847476 -0.333499
H 6.515359 1.788598 -1.683407
H 2.778175 -3.213183 1.362886
H 1.619742 -4.388833 0.627828
H -0.233314 -0.309558 -2.098480
H -0.926430 0.182629 2.169495
H -2.643517 0.130958 -2.530530
H -3.363996 0.646898 1.710079
H -0.316901 -2.894878 1.434938
H 0.831981 -1.880032 2.312951
H 0.614265 -3.570456 2.776830


%chk=000217312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217312

0 1
S 3.367598 0.723368 1.623978
P 1.995745 -0.016921 -0.032001
O 0.489693 0.238233 0.861120
O 2.106824 -1.732750 -0.185850
O 2.121680 0.677628 -1.453494
O -5.054587 0.045186 -2.334486
O -5.783000 0.038806 -0.171462
N -4.842633 0.061461 -1.059229
C 4.735541 1.328099 0.423991
C 5.589574 0.190903 -0.153486
C -0.802416 0.184940 0.302561
C 6.707247 0.748512 -1.064977
C 2.313061 -2.629151 0.995372
C -1.062798 0.178548 -1.091822
C -1.857187 0.163934 1.249118
C -3.443595 0.107312 -0.586901
C -2.396874 0.134713 -1.535074
C -3.188171 0.126449 0.804068
C 0.999363 -2.970673 1.700119
H 5.327086 2.016441 1.053516
H 4.228349 1.906704 -0.366631
H 4.945513 -0.494730 -0.737276
H 6.031043 -0.399697 0.671484
H 7.386312 1.419362 -0.506420
H 7.313795 -0.075180 -1.481506
H 6.283382 1.317881 -1.912263
H 3.043637 -2.157296 1.681370
H 2.772449 -3.520384 0.537116
H -0.241444 0.222815 -1.813443
H -1.613317 0.183655 2.314613
H -2.639339 0.127254 -2.600778
H -4.026080 0.109533 1.505488
H 0.265758 -3.376797 0.982988
H 0.559999 -2.087826 2.194470
H 1.188891 -3.741129 2.471027


