%chk=000249326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249326

0 1
S 1.771587 -0.733716 0.333780
S -4.423755 0.020714 -0.252434
O 2.033369 -1.671187 1.403526
O 2.338707 -0.924555 -0.986438
O -4.782233 -0.038605 -1.651647
O -5.100863 -0.784707 0.738516
N 2.256721 0.807138 0.930221
N -4.647603 1.654987 0.227500
C 0.045041 -0.537536 0.165693
C -2.704794 -0.202984 -0.093761
C -0.789173 -0.812895 1.250167
C -0.487047 -0.114986 -1.053589
C 3.068084 1.673044 0.036439
C -2.174009 -0.644379 1.119577
C -1.871474 0.053728 -1.184284
C 4.553284 1.356031 0.102480
C 5.096581 0.577951 -1.047102
C 5.296466 1.760758 1.134785
H 2.629469 0.820244 1.893049
H -0.370960 -1.172631 2.197228
H 0.168212 0.070721 -1.911895
H 2.887319 2.732172 0.342257
H 2.692502 1.591548 -1.010193
H -2.832727 -0.872560 1.965334
H -2.293827 0.372663 -2.144089
H 6.072174 0.124818 -0.831092
H 4.417206 -0.247685 -1.339472
H 5.221280 1.212339 -1.935087
H -4.942599 2.328971 -0.476082
H -5.147127 1.839688 1.095095
H 4.915392 2.333085 1.965412
H 6.351797 1.549326 1.224007


%chk=000249326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249326

0 1
S 1.779104 -0.539322 -0.227362
S -4.702274 -0.043695 -0.086482
O 2.175202 -1.719744 0.830131
O 2.237718 -0.573276 -1.790827
O -5.202960 0.190940 -1.617074
O -5.251747 -1.231013 0.881501
N 2.311188 1.136378 0.440139
N -4.976368 1.535013 0.808072
C -0.103536 -0.376454 -0.184139
C -2.816766 -0.172603 -0.122149
C -0.779292 -0.959879 0.899216
C -0.735089 0.279269 -1.253325
C 3.460566 1.746261 -0.304325
C -2.188691 -0.853766 0.931856
C -2.143593 0.384845 -1.221532
C 4.841884 1.383928 0.231715
C 5.292916 -0.053835 0.054163
C 5.608948 2.335965 0.828352
H 2.528640 0.962491 1.441846
H -0.224054 -1.499681 1.672814
H -0.151838 0.673897 -2.090625
H 3.294552 2.838609 -0.259389
H 3.352832 1.433316 -1.362798
H -2.779961 -1.306973 1.733532
H -2.701374 0.861150 -2.033737
H 6.321090 -0.200149 0.425031
H 4.633894 -0.764751 0.591771
H 5.257507 -0.347091 -1.012390
H -5.465046 2.189530 0.175379
H -5.498459 1.332248 1.676296
H 5.261354 3.370399 0.941142
H 6.610653 2.109491 1.211098


