%chk=000256048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256048

0 1
S -4.286518 -1.336476 -0.176588
S 2.642946 -2.394967 -0.035707
O -2.603219 -1.294431 0.005639
O 1.898219 -2.051913 -1.524056
O -4.590102 -0.517432 -1.315723
O -4.832708 -1.017570 1.116943
O 3.689561 -3.317740 -0.375673
O 1.581238 -2.805464 0.859361
N 0.315996 -0.003729 0.025399
C -0.572917 -0.653537 1.025747
C 0.051382 -0.467529 -1.371003
C 0.631598 1.376599 0.209606
C -2.058984 -0.298002 0.899147
C 0.472960 -1.933657 -1.552824
C 1.305237 2.085088 -0.811528
C 0.408093 2.013428 1.450413
C 1.747506 3.393229 -0.595097
C 0.857473 3.319053 1.651648
C 1.524902 4.016173 0.645202
C 2.450901 4.140985 -1.681702
C -4.456934 -3.020073 -0.551774
C 3.313092 -0.867937 0.420381
H -0.440140 -1.767356 0.923025
H -0.203763 -0.416064 2.049369
H -1.030344 -0.368623 -1.632211
H 0.622718 0.163557 -2.093515
H -2.583277 -0.367676 1.873011
H -2.225876 0.700485 0.453754
H 0.005583 -2.602588 -0.800287
H 0.212837 -2.287317 -2.571320
H 1.477485 1.612226 -1.778237
H -0.108572 1.501320 2.256710
H 0.678728 3.801478 2.613757
H 1.864439 5.032975 0.815390
H 3.376816 4.608474 -1.318257
H 1.814211 4.948984 -2.073111
H 2.723096 3.505430 -2.533857
H -3.494815 -3.562824 -0.546105
H -5.096247 -3.563574 0.163621
H -4.891024 -3.205732 -1.547763
H 3.101022 -0.064198 -0.311123
H 2.896886 -0.472265 1.363032
H 4.406513 -0.882210 0.540203


%chk=000256048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256048

0 1
S -4.812678 -1.493030 0.163043
S 3.015277 -2.080656 -0.099114
O -2.950376 -1.111174 -0.118490
O 2.124822 -1.310068 -1.597726
O -5.764660 -0.479447 -0.663527
O -5.023153 -1.700516 1.760939
O 4.156053 -3.110686 -0.595157
O 1.867684 -2.586131 0.939289
N -0.100778 0.089851 -0.097270
C -0.821770 -0.625901 0.956459
C -0.206139 -0.479747 -1.448940
C 0.471977 1.362424 0.136340
C -2.350766 -0.358918 1.000836
C 0.706732 -1.699805 -1.694470
C 1.400973 1.929277 -0.792076
C 0.165325 2.112875 1.313429
C 1.983151 3.201038 -0.583194
C 0.766224 3.369399 1.531146
C 1.665350 3.924727 0.595409
C 2.932909 3.785612 -1.616442
C -4.759450 -3.172594 -0.720243
C 3.820183 -0.475237 0.508349
H -0.660543 -1.712777 0.842161
H -0.396213 -0.359514 1.939082
H -1.255063 -0.813997 -1.605463
H 0.002030 0.301470 -2.197179
H -2.761845 -0.735090 1.960514
H -2.571580 0.719279 0.894832
H 0.484464 -2.494113 -0.952684
H 0.554687 -2.110663 -2.710613
H 1.703326 1.355086 -1.673971
H -0.552719 1.739195 2.049208
H 0.513632 3.926876 2.440689
H 2.115509 4.907579 0.774847
H 3.761326 4.338815 -1.138597
H 2.403730 4.499086 -2.277518
H 3.368206 3.002135 -2.261286
H -4.402000 -2.966432 -1.737601
H -4.062256 -3.795130 -0.145854
H -5.788529 -3.557353 -0.705896
H 4.461973 -0.141309 -0.317759
H 2.998458 0.226652 0.700577
H 4.392514 -0.742487 1.407816


