%chk=000248661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248661

0 1
S 1.244647 2.347518 -0.357690
S 3.008716 2.035983 -2.837725
O 0.959346 -0.106101 -0.225010
O -3.104643 0.022485 -0.580311
O -1.715091 -2.557213 -0.732826
O -1.186443 1.732921 0.233162
O 1.898294 -3.167446 0.146432
O 3.539963 3.520941 -0.882418
O -3.950051 0.099044 -2.679895
O -1.897565 -3.433615 1.343836
O -3.007546 2.904569 -0.457770
O 3.695617 -2.351935 1.261978
C -1.781777 -0.238041 -1.111138
C -1.176087 -1.312115 -0.195528
C -1.017784 1.102542 -1.067548
C 0.357993 -1.418949 -0.353448
C 0.495917 0.878743 -1.144678
C 1.021705 -2.199596 0.785303
C -4.129878 0.263490 -1.500424
C -2.074642 -3.557808 0.156240
C -2.245869 2.604550 0.429207
C 2.675293 2.654917 -1.369377
C -5.323289 0.723000 -0.751426
C -2.646520 -4.689893 -0.615613
C 3.253141 -3.111706 0.437575
C -2.210116 3.052475 1.846266
C 3.952813 -4.122321 -0.400004
C 3.381218 4.113486 0.467741
C 4.638465 4.942818 0.604978
H -1.871405 -0.614769 -2.164262
H -1.501227 -1.175172 0.862616
H -1.399509 1.797019 -1.857245
H 0.626338 -1.851028 -1.346202
H 0.858457 0.659172 -2.176210
H 1.600628 -1.525515 1.456127
H 0.312603 -2.813098 1.375355
H -5.243111 1.814984 -0.568931
H -6.247852 0.547227 -1.321941
H -5.419745 0.241295 0.233410
H -2.016787 -5.589549 -0.514730
H -3.649764 -4.952188 -0.241792
H -2.736464 -4.466204 -1.692442
H -3.089133 2.677337 2.395490
H -2.225527 4.151916 1.911871
H -1.313919 2.691372 2.380201
H 4.623358 -3.626800 -1.121837
H 4.577275 -4.782336 0.222635
H 3.255416 -4.753384 -0.973512
H 3.325922 3.289246 1.201301
H 2.460858 4.721449 0.463811
H 4.675367 5.455054 1.574195
H 4.709662 5.704255 -0.185799
H 5.542133 4.320273 0.517107


%chk=000248661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248661

0 1
S 1.457897 2.273739 -0.273096
S 3.178539 0.838077 -2.512504
O 0.884555 -0.337088 0.023466
O -3.247773 -0.064297 -0.690317
O -1.954487 -2.651484 -0.802439
O -1.296985 1.413768 0.767418
O 2.205050 -2.960379 -0.088938
O 3.967997 2.927786 -1.083092
O -3.553286 0.824183 -2.828733
O -2.731624 -3.323706 1.301855
O -2.991154 2.894904 0.122086
O 3.169155 -2.215090 1.912091
C -1.816596 -0.241983 -1.003795
C -1.308225 -1.453271 -0.213163
C -1.044332 1.054042 -0.650505
C 0.225230 -1.591186 -0.404703
C 0.457762 0.787443 -0.804128
C 0.845789 -2.703335 0.436930
C -4.022894 0.550136 -1.705317
C -2.673043 -3.501706 0.068664
C -2.322203 2.345868 1.023324
C 2.972319 2.022391 -1.336805
C -5.415581 0.827131 -1.204816
C -3.291085 -4.634750 -0.716655
C 3.294306 -2.577569 0.724948
C -2.464554 2.549532 2.512037
C 4.576035 -2.665624 -0.069197
C 3.848129 3.975862 -0.004816
C 5.154124 4.759111 -0.034063
H -1.705505 -0.421187 -2.091420
H -1.570562 -1.372063 0.857002
H -1.385226 1.876974 -1.304554
H 0.440010 -1.775906 -1.480103
H 0.715753 0.601736 -1.870314
H 0.906966 -2.408727 1.499750
H 0.282131 -3.642573 0.322630
H -5.401549 1.803115 -0.684776
H -6.114589 0.889956 -2.052077
H -5.741041 0.059993 -0.485242
H -2.510622 -5.375512 -0.972447
H -4.058669 -5.131592 -0.105993
H -3.721030 -4.268406 -1.661882
H -2.920081 1.650612 2.964817
H -3.106009 3.420265 2.709831
H -1.475703 2.686490 2.979544
H 4.648278 -1.778878 -0.726388
H 5.439167 -2.677609 0.612222
H 4.578368 -3.559080 -0.713776
H 3.687348 3.458192 0.958804
H 2.973142 4.611860 -0.236215
H 5.129627 5.546411 0.741080
H 5.303559 5.239313 -1.015318
H 6.012574 4.097407 0.168192


