%chk=000222165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222165

0 1
S -2.030696 -2.260537 -0.257668
S -3.459047 0.887545 -0.222891
O -3.584761 -1.764610 0.157236
O -3.919945 0.419158 1.305856
O -2.127150 -2.738811 -1.603480
O -1.568620 -3.111661 0.798601
O -3.630977 2.314975 -0.250773
O -4.167354 0.044699 -1.162838
O 5.316311 -0.614579 0.062941
N 3.081102 -1.165545 0.198439
N 0.800488 4.004805 -0.341868
C 1.084293 0.264377 -0.045129
C 0.494824 1.557351 -0.132745
C -1.157122 -0.745478 -0.176728
C -1.747168 0.547465 -0.214713
C 0.204732 -0.872647 -0.082149
C -0.930175 1.654172 -0.205113
C 2.508369 0.138810 0.069225
C 1.340970 2.722201 -0.141278
C 3.300040 1.287815 0.060653
C 2.726163 2.560422 -0.043412
C 4.463964 -1.470894 0.179340
C 4.754042 -2.937261 0.318725
H 0.666964 -1.867783 -0.027430
H -1.374481 2.663580 -0.250768
H 4.396313 1.207759 0.134347
H 3.385412 3.429418 -0.056418
H 2.415698 -1.935233 0.310180
H -0.172378 4.152124 -0.109906
H 1.385836 4.792096 -0.101079
H -4.250837 -1.784449 -0.602455
H -4.279202 -0.496999 1.406263
H 4.376984 -3.360033 1.260196
H 5.846448 -3.102171 0.313468
H 4.343560 -3.531981 -0.509128


%chk=000222165-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222165

0 1
S -2.047466 -2.338128 -0.583995
S -3.579702 0.950183 -0.143286
O -3.570600 -2.084142 0.493503
O -3.887767 0.426137 1.582069
O -2.574820 -2.515849 -2.096523
O -1.150244 -3.483219 0.109192
O -3.744737 2.550479 -0.154627
O -4.433238 0.014412 -1.159667
O 5.404469 -0.670976 0.120759
N 3.103070 -1.139352 0.253838
N 0.825335 4.067223 -0.297536
C 1.112628 0.288374 -0.080979
C 0.511119 1.613539 -0.170328
C -1.133785 -0.696180 -0.294155
C -1.722532 0.594591 -0.286951
C 0.243351 -0.846551 -0.177582
C -0.909687 1.719513 -0.226963
C 2.536561 0.153082 0.087999
C 1.352215 2.790019 -0.173176
C 3.327028 1.323764 0.095161
C 2.747741 2.602415 -0.043573
C 4.461086 -1.499732 0.268138
C 4.695120 -2.993339 0.480206
H 0.634796 -1.869487 -0.190553
H -1.417503 2.690495 -0.181305
H 4.408882 1.222016 0.196528
H 3.408071 3.477127 -0.047747
H 2.453923 -1.910749 0.415420
H -0.158383 4.241971 -0.477621
H 1.440650 4.874747 -0.246167
H -4.318566 -1.963244 -0.171645
H -3.813530 -0.590326 1.546079
H 4.183185 -3.364326 1.387206
H 5.775234 -3.166675 0.589180
H 4.330693 -3.579717 -0.383396


