%chk=000239947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239947

0 1
S 4.678607 -1.279685 0.030634
O -2.403053 -1.400976 -0.744599
O -5.708008 0.666242 0.699613
O -5.351753 -1.046841 -1.369526
O -1.685968 -2.904077 1.178799
O -2.193347 2.921590 -0.971300
O 4.779368 -2.402676 0.949344
O 5.348930 -1.346462 -1.241719
O 4.880988 1.698536 -0.352015
N -3.104574 1.914006 0.853219
N -0.958819 0.360004 -0.564439
N 5.479907 -0.032843 0.978711
C -3.345987 0.671158 0.098449
C -4.531635 -0.126158 0.703199
C -4.776202 -1.420296 -0.116064
C -2.085648 -0.247427 0.116575
C -3.485937 -2.235289 -0.326990
C -3.080967 -3.053678 0.918598
C 0.364388 -0.060810 -0.403018
C -2.568326 3.029025 0.187018
C 0.742024 -1.019309 0.570470
C 1.354160 0.533291 -1.229271
C -2.470793 4.280077 1.002750
C 2.077519 -1.370602 0.698398
C 2.682629 0.165293 -1.080412
C 3.060882 -0.792181 -0.120856
C 5.523354 1.322239 0.612635
C 6.361327 2.223189 1.470265
H -3.582214 0.935291 -0.973645
H -4.373400 -0.346565 1.784471
H -5.589851 -2.028003 0.349035
H -1.826986 -0.632777 1.133740
H -3.596728 -2.898097 -1.223936
H -3.537443 1.991506 1.768722
H -3.302724 -4.129084 0.781584
H -3.553468 -2.708695 1.856534
H -1.176118 1.053183 -1.296717
H -6.108890 0.683741 -0.212427
H -4.650950 -0.741714 -1.998036
H -1.173779 -2.941561 0.325652
H -0.004400 -1.474532 1.223425
H 1.077797 1.279570 -1.971970
H -1.847746 4.150165 1.899186
H -3.453213 4.651769 1.325368
H -2.004381 5.083556 0.405309
H 2.368810 -2.118477 1.448702
H 3.451199 0.634066 -1.714648
H 6.010908 -0.337152 1.805666
H 7.427046 1.956767 1.425191
H 6.277784 3.266105 1.121332
H 6.055581 2.208097 2.524290


%chk=000239947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239947

0 1
S 4.823600 -1.104768 -0.456634
O -2.432750 -1.493878 -0.684192
O -5.740843 0.677191 0.757945
O -5.339319 -1.312829 -1.174381
O -1.538302 -3.300836 1.373503
O -2.159051 2.935832 -1.211061
O 4.950866 -2.614913 0.139743
O 5.565092 -0.682140 -1.829339
O 5.097169 1.983513 0.148255
N -3.212479 2.004586 0.636977
N -1.018381 0.431822 -0.704663
N 5.584037 -0.139924 0.968123
C -3.364530 0.672768 0.024481
C -4.495449 -0.087091 0.772108
C -4.732554 -1.491332 0.160219
C -2.071004 -0.193876 0.018601
C -3.426235 -2.302353 0.056200
C -2.925717 -2.838365 1.421689
C 0.324036 0.053783 -0.626446
C -2.705492 3.082487 -0.066546
C 0.745117 -1.099233 0.103592
C 1.296343 0.855996 -1.300146
C -2.823229 4.443771 0.598163
C 2.111448 -1.425608 0.173327
C 2.660757 0.534175 -1.239986
C 3.032870 -0.602889 -0.498436
C 5.668430 1.246575 1.000823
C 6.509479 1.802259 2.152134
H -3.653319 0.817476 -1.037732
H -4.234389 -0.176845 1.844247
H -5.502204 -2.017113 0.751566
H -1.755914 -0.456390 1.050103
H -3.597648 -3.160331 -0.622511
H -3.777017 2.193582 1.468971
H -3.608576 -3.655520 1.738979
H -2.931123 -2.069442 2.211805
H -1.275462 1.275325 -1.245190
H -6.165519 0.507046 -0.127392
H -4.597974 -1.190757 -1.827058
H -1.405343 -3.878343 0.578905
H 0.013245 -1.750525 0.591639
H 0.971620 1.740551 -1.858892
H -3.322418 4.411484 1.581194
H -3.384930 5.121286 -0.067560
H -1.814599 4.873362 0.723134
H 2.454593 -2.315492 0.710926
H 3.417474 1.149814 -1.732845
H 6.084736 -0.761816 1.613688
H 7.481709 2.138190 1.748814
H 5.994619 2.682133 2.570555
H 6.694428 1.070105 2.955896


