%chk=000286916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286916

0 1
S -4.771785 1.721491 -0.730920
S 2.046390 0.255600 -1.509366
O -4.354425 2.897824 0.411865
O 1.625122 1.266818 -0.185898
O -4.307061 2.204324 -2.007198
O -6.155384 1.454875 -0.470361
O 2.638273 1.105383 -2.495900
O 0.854942 -0.497169 -1.800197
O -1.774873 -3.548850 2.015896
O -0.156706 -2.805378 0.792221
O 5.722801 -4.045614 1.955672
O 7.282225 -2.702867 1.279901
N -1.308329 -2.771648 1.203896
N 6.122379 -3.067704 1.351536
C -2.009893 3.253510 -0.037294
C -3.372428 3.882893 0.042396
C -3.800119 0.374909 -0.211299
C 0.432956 1.953269 -0.193527
C 3.220117 -0.704438 -0.691044
C -1.402587 2.758899 1.129805
C -1.356436 3.133470 -1.272727
C -0.179362 2.097102 1.062953
C -0.121680 2.487451 -1.363600
C -4.177585 -0.348677 0.925774
C -2.644073 0.043382 -0.918084
C 4.570267 -0.336211 -0.739728
C 2.809884 -1.838379 0.016554
C -2.192304 -1.692969 0.686388
C -3.373018 -1.393723 1.384180
C -1.823006 -0.999411 -0.468993
C 5.102565 -2.241149 0.634530
C 5.524952 -1.107773 -0.073453
C 3.757389 -2.619502 0.688743
H -3.681374 4.372171 -0.902972
H -3.454361 4.614963 0.873466
H -1.905390 2.877325 2.091874
H -1.825688 3.528640 -2.179324
H 0.305829 1.696886 1.950533
H 0.389299 2.417761 -2.324629
H -5.104173 -0.103496 1.459318
H -2.358861 0.597736 -1.824228
H 4.886471 0.552252 -1.302174
H 1.747138 -2.131995 0.050905
H -3.651597 -1.973136 2.270685
H -0.895886 -1.252516 -1.014756
H 6.587854 -0.838249 -0.098039
H 3.451631 -3.512582 1.249822


%chk=000286916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286916

0 1
S -4.924175 1.641275 -0.433192
S 2.171242 0.312490 -1.835860
O -4.206490 2.910404 0.786218
O 2.009025 2.019500 -0.700800
O -4.568283 2.147530 -1.933994
O -6.433508 1.371815 0.063386
O 2.941546 0.698041 -3.206807
O 0.700304 -0.385433 -1.855369
O -1.860324 -3.962628 1.942122
O -0.172343 -3.095782 0.682502
O 5.396034 -3.927401 2.410811
O 7.184689 -2.800451 1.551509
N -1.385165 -3.084425 1.130556
N 5.920580 -3.037220 1.641392
C -1.923185 3.414412 -0.093859
C -3.335207 3.917722 0.134035
C -3.867112 0.137000 -0.009489
C 0.706471 2.442783 -0.526231
C 3.316446 -0.719262 -0.755169
C -1.214012 2.771684 0.958239
C -1.300473 3.569450 -1.361795
C 0.078506 2.265230 0.743398
C 0.005977 3.097188 -1.581892
C -4.329104 -0.717528 1.006579
C -2.664836 -0.040972 -0.711271
C 4.696193 -0.463131 -0.849061
C 2.741458 -1.694695 0.077425
C -2.276832 -1.975238 0.696068
C -3.512223 -1.809161 1.363384
C -1.843954 -1.127776 -0.345796
C 5.000915 -2.220501 0.796431
C 5.560581 -1.237102 -0.048986
C 3.613579 -2.470132 0.870493
H -3.794346 4.273770 -0.806968
H -3.367455 4.740507 0.875109
H -1.700156 2.647517 1.932115
H -1.850759 4.049942 -2.178303
H 0.634699 1.757125 1.538068
H 0.497646 3.214038 -2.553380
H -5.291162 -0.536026 1.495088
H -2.363430 0.640626 -1.511887
H 5.082936 0.298377 -1.532460
H 1.662146 -1.874502 0.096045
H -3.805597 -2.512433 2.146714
H -0.886827 -1.282966 -0.851347
H 6.643722 -1.094311 -0.070311
H 3.232361 -3.253851 1.529739


