%chk=000246504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246504

0 1
S 3.618225 -1.857713 0.309230
S 3.564316 1.962706 -0.320814
O 2.061673 -1.969507 -0.343605
O 2.013729 2.030180 0.352105
O 3.712891 -0.586027 1.008859
O 3.776657 -3.039088 1.120337
O 3.678383 3.149480 -1.131742
O 3.685680 0.695548 -1.024482
O -6.534148 0.642862 -0.945653
O -6.705519 -0.692744 0.833662
N -0.297336 -0.000398 0.016490
C 0.515889 -0.690983 1.044451
C 0.486236 0.712364 -1.019322
C -1.682403 -0.022136 0.021478
C 0.959070 -2.083150 0.565636
C 0.897122 2.115266 -0.543035
C -2.394097 -0.768223 1.007143
C -2.424638 0.701168 -0.957938
C -3.777364 -0.781856 1.004660
C -3.808306 0.672672 -0.944687
C -4.505488 -0.065073 0.032271
C 4.533080 -1.953019 -1.140526
C 4.495575 2.081860 1.116603
C -5.962824 -0.111251 0.069947
H 1.413347 -0.054254 1.278581
H -0.053740 -0.777255 1.998317
H -0.095675 0.784704 -1.966904
H 1.397808 0.100130 -1.263815
H 0.181961 -2.578840 -0.053720
H 1.226565 -2.748380 1.409017
H 1.135735 2.789127 -1.388218
H 0.114559 2.588225 0.087121
H -1.854377 -1.327499 1.766381
H -1.908426 1.276589 -1.721305
H -4.325621 -1.353618 1.761123
H -4.379207 1.227395 -1.696852
H 4.630218 -0.960154 -1.647420
H 5.557246 -2.328315 -1.007538
H 4.073050 -2.598885 -1.908160
H 4.616673 1.093463 1.627258
H 5.511568 2.473411 0.968555
H 4.034553 2.724172 1.886516
H -7.525337 0.608345 -0.915906


%chk=000246504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246504

0 1
S 3.711495 -2.211313 0.448427
S 3.646444 2.317081 -0.448483
O 1.996416 -2.168025 -0.305861
O 1.934854 2.228539 0.308801
O 3.931660 -0.909422 1.399196
O 3.961589 -3.669627 1.095745
O 3.856658 3.781178 -1.097034
O 3.896541 1.020755 -1.399282
O -6.625752 0.755830 -0.875059
O -6.718801 -0.848514 0.804015
N -0.270262 -0.000485 0.007227
C 0.508475 -0.684612 1.056312
C 0.484892 0.702095 -1.046723
C -1.670532 -0.020308 0.009848
C 0.907516 -2.133121 0.707687
C 0.846416 2.161676 -0.703648
C -2.404430 -0.880669 0.895069
C -2.432442 0.817798 -0.872362
C -3.804775 -0.894227 0.893449
C -3.833930 0.791439 -0.868970
C -4.547452 -0.062362 0.013382
C 4.593386 -2.000733 -1.213127
C 4.537112 2.130438 1.211159
C -6.018966 -0.120414 0.051955
H 1.424176 -0.102773 1.255574
H -0.068629 -0.686629 1.998427
H -0.096718 0.686669 -1.986072
H 1.414912 0.144632 -1.249378
H 0.082018 -2.682449 0.221195
H 1.217599 -2.692644 1.613667
H 1.141830 2.724908 -1.612242
H 0.007313 2.691627 -0.219020
H -1.880943 -1.558557 1.574669
H -1.930396 1.510766 -1.553092
H -4.352997 -1.559837 1.568908
H -4.394718 1.442874 -1.545594
H 4.373370 -0.965812 -1.519092
H 5.658863 -2.173973 -1.006913
H 4.159564 -2.761089 -1.875341
H 4.342537 1.091034 1.519242
H 5.597729 2.328274 1.001978
H 4.087159 2.881631 1.873063
H -7.611481 0.659651 -0.787602


