%chk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq

Optimization polyoxin CONF118 gas

-1 1
O    1.8272149865   1.5773387468   1.5087309250
O    0.2794652031   3.8680190183  -0.7280736215
O    2.6470967896   4.2611040926   0.3863665230
O   -1.8838635889   3.1698841630   0.6155005551
O   -2.9092298633   1.2072690056   0.8274612530
O    5.2328204865   1.9097783504  -0.7453963212
O    0.0074861041  -1.5344928640   1.7155848193
O   -2.7813505786  -0.6938504041  -1.2408334792
O   -3.0599167890  -1.6168503125   1.7113702994
O    5.0926920197  -2.5226643299  -1.6409177004
O    2.3501261787  -3.6750152143  -0.9618113663
O   -5.2760635208  -0.7652323383   0.3145538019
O   -6.3107555894  -0.6916813641  -1.6933885240
N    3.4672693785   0.7234437576   0.0837698681
N   -0.4330811595   0.0994744361   0.2104032504
N    5.0898527889  -0.3005043416  -1.2110572470
N   -0.8184758046  -3.5709356701  -0.0000076057
N   -5.6009652017   1.1981838126  -0.6262689421
C    0.6289268280   2.1974237970   1.0369742073
C    0.9719550155   2.7156249892  -0.3616407571
C    2.4654210685   3.0197686859  -0.2302305258
C    2.9298831997   1.9410442646   0.7542638825
C   -0.5443491230   1.2283862214   1.1137046929
C   -1.8992418235   1.9494619601   0.8313397370
C    2.9466339896  -0.5130601157   0.3388475230
C    4.6395696676   0.8626793741  -0.6282473253
C   -0.4443247274  -1.1946101269   0.6396563683
C   -1.0252628246  -2.1915688654  -0.3718134252
C   -2.5358848820  -1.9537031088  -0.6689637707
C    3.4481292966  -1.6548234198  -0.1716536624
C   -3.4241229548  -2.2873867275   0.5369379602
C    4.5811214308  -1.5805613875  -1.0629139650
C    2.8933444999  -3.0084423716   0.1550725063
C   -4.9187216683  -2.1324076565   0.2445601171
C   -5.7609013672  -0.1401165288  -0.7722988882
H    0.4076818080   3.0453142583   1.6939228837
H    0.8414849278   1.9065491122  -1.0972256546
H    2.9870355763   2.9703349675  -1.1910686953
H    3.7251036989   2.3290245043   1.3972648075
H   -0.5858253018   0.8252565231   2.1301944439
H   -0.8461121011   0.2316802890  -0.7007450163
H   -0.6038069833   3.8014620554  -0.2927579437
H    1.8718755758   4.7836208825   0.1380109782
H    2.1039033779  -0.5310299156   1.0135225784
H   -0.5132773683  -2.0151294232  -1.3253525006
H   -2.7784923050  -2.6916276926  -1.4410744878
H    5.9209518969  -0.2014558926  -1.7764653922
H   -3.2628566193  -3.3534513525   0.7301853688
H    0.0838842047  -3.8874898844  -0.3273080355
H   -0.8116419267  -3.6478027617   1.0092639021
H    2.0887210675  -2.9024293369   0.8828738809
H    3.6782427820  -3.6141683839   0.6267548582
H   -5.1868571894  -2.5682562389  -0.7204083597
H   -5.4859787013  -2.6547244794   1.0192773800
H   -2.9090586746  -0.0265816400  -0.5423375358
H   -3.1573121632  -0.6592382515   1.5874217470
H    3.0649549996  -3.8084828861  -1.5917068814
H   -4.8476764300   1.5241894723  -0.0304085170
H   -5.7938045829   1.7486822137  -1.4428614210

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx

Wavefunction polyoxin CONF118 gas

-1 1

opt-b3lyp-pople.wfx

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum polyoxin CONF118 gas

-1 1

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read

Single Point polyoxin CONF118 gas

-1 1