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	hartrees
Energy at 0K	-271.557659
Energy at 298.15K	-271.570325
Nuclear repulsion energy	254.704320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3045	3022	40.85
2	A'	3011	2988	93.36
3	A'	2996	2973	46.16
4	A'	2959	2936	9.98
5	A'	2941	2919	29.40
6	A'	2901	2879	107.09
7	A'	1507	1495	4.66
8	A'	1494	1482	7.72
9	A'	1493	1481	1.15
10	A'	1388	1377	3.21
11	A'	1363	1352	0.38
12	A'	1278	1268	0.34
13	A'	1266	1256	5.15
14	A'	1158	1149	2.01
15	A'	1025	1017	4.18
16	A'	993	985	5.89
17	A'	859	853	7.03
18	A'	817	811	8.27
19	A'	764	758	10.14
20	A'	552	547	3.86
21	A'	427	424	2.74
22	A'	380	378	5.14
23	A'	234	232	4.90
24	A"	3041	3018	44.93
25	A"	3001	2978	29.08
26	A"	2958	2936	52.85
27	A"	2894	2872	20.44
28	A"	1490	1479	0.14
29	A"	1483	1472	1.89
30	A"	1369	1358	6.04
31	A"	1356	1345	0.51
32	A"	1348	1338	6.56
33	A"	1280	1270	4.83
34	A"	1183	1174	9.16
35	A"	1159	1151	3.48
36	A"	1055	1047	0.13
37	A"	992	985	46.56
38	A"	973	966	36.10
39	A"	851	845	3.51
40	A"	806	800	3.97
41	A"	449	446	0.01
42	A"	231	229	0.70

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.468	0.000
C2	0.063	-1.482	0.000
H3	-1.005	-1.779	0.000
H4	0.654	-2.416	0.000
C5	0.364	-0.648	1.279
C6	0.364	-0.648	-1.279
C7	-0.362	0.714	-1.223
C8	-0.362	0.714	1.223
H9	0.053	-1.198	2.187
H10	0.053	-1.198	-2.187
H11	1.452	-0.469	1.358
H12	1.452	-0.469	-1.358
H13	-1.463	0.567	-1.255
H14	-1.463	0.567	1.255
H15	-0.070	1.373	-2.055
H16	-0.070	1.373	2.055

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.9515	3.3991	3.9390	2.4996	2.4996	1.4816	1.4816	3.4493	3.4493	2.7758	2.7758	2.1275	2.1275	2.0580	2.0580
C2	2.9515		1.1086	1.1046	1.5560	1.5560	2.5499	2.5499	2.2053	2.2053	2.1909	2.1909	2.8469	2.8469	3.5204	3.5204
H3	3.3991	1.1086		1.7769	2.1879	2.1879	2.8505	2.8505	2.4979	2.4979	3.0979	3.0979	2.6995	2.6995	3.8769	3.8769
H4	3.9390	1.1046	1.7769		2.2008	2.2008	3.5108	3.5108	2.5739	2.5739	2.5045	2.5045	3.8670	3.8670	4.3706	4.3706
C5	2.4996	1.5560	2.1879	2.2008		2.5575	2.9397	1.5448	1.1062	3.5227	1.1057	2.8581	3.3515	2.1944	3.9224	2.2082
C6	2.4996	1.5560	2.1879	2.2008	2.5575		1.5448	2.9397	3.5227	1.1062	2.8581	1.1057	2.1944	3.3515	2.2082	3.9224
C7	1.4816	2.5499	2.8505	3.5108	2.9397	1.5448		2.4461	3.9318	2.1818	3.3690	2.1695	1.1116	2.7154	1.1003	3.3559
C8	1.4816	2.5499	2.8505	3.5108	1.5448	2.9397	2.4461		2.1818	3.9318	2.1695	3.3690	2.7154	1.1116	3.3559	1.1003
H9	3.4493	2.2053	2.4979	2.5739	1.1062	3.5227	3.9318	2.1818		4.3738	1.7819	3.8800	4.1547	2.5073	4.9617	2.5780
H10	3.4493	2.2053	2.4979	2.5739	3.5227	1.1062	2.1818	3.9318	4.3738		3.8800	1.7819	2.5073	4.1547	2.5780	4.9617
H11	2.7758	2.1909	3.0979	2.5045	1.1057	2.8581	3.3690	2.1695	1.7819	3.8800		2.7160	4.0491	3.0953	4.1658	2.4886
H12	2.7758	2.1909	3.0979	2.5045	2.8581	1.1057	2.1695	3.3690	3.8800	1.7819	2.7160		3.0953	4.0491	2.4886	4.1658
H13	2.1275	2.8469	2.6995	3.8670	3.3515	2.1944	1.1116	2.7154	4.1547	2.5073	4.0491	3.0953		2.5092	1.7974	3.6798
H14	2.1275	2.8469	2.6995	3.8670	2.1944	3.3515	2.7154	1.1116	2.5073	4.1547	3.0953	4.0491	2.5092		3.6798	1.7974
H15	2.0580	3.5204	3.8769	4.3706	3.9224	2.2082	1.1003	3.3559	4.9617	2.5780	4.1658	2.4886	1.7974	3.6798		4.1091
H16	2.0580	3.5204	3.8769	4.3706	2.2082	3.9224	3.3559	1.1003	2.5780	4.9617	2.4886	4.1658	3.6798	1.7974	4.1091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.355	O1	C7	H13	109.424
O1	C7	H15	104.738	O1	C8	C5	111.355
O1	C8	H14	109.424	O1	C8	H16	104.738
C2	C5	C8	110.641	C2	C5	H9	110.727
C2	C5	H11	109.638	C2	C6	C7	110.641
C2	C6	H10	110.727	C2	C6	H12	109.638
H3	C2	H4	106.815	H3	C2	C5	109.234
H3	C2	C6	109.234	H4	C2	C5	110.470
H4	C2	C6	110.470	C5	C2	C6	110.530
C5	C8	H14	110.335	C5	C8	H16	112.107
C6	C7	H13	110.335	C6	C7	H15	112.107
C7	O1	C8	111.277	C7	C6	H10	109.667
C7	C6	H12	108.748	C8	C5	H9	109.667
C8	C5	H11	108.748	H9	C5	H11	107.340
H10	C6	H12	107.340	H13	C7	H15	108.700
H14	C8	H16	108.700

All results from a given calculation for C₅H₁₀O (2H-Pyran, tetrahydro-)

using model chemistry: BLYP/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.459
2	C	-0.212
3	H	0.106
4	H	0.112
5	C	-0.213
6	C	-0.213
7	C	-0.017
8	C	-0.017
9	H	0.105
10	H	0.105
11	H	0.122
12	H	0.122
13	H	0.102
14	H	0.102
15	H	0.128
16	H	0.128

	x	y	z	Total
	-0.443	-1.681	0.000	1.739
CHELPG
AIM
ESP

<r²>	157.913
(<r²>)^1/2	12.566

All results from a given calculation for C5H10O (2H-Pyran, tetrahydro-)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₅H₁₀O (2H-Pyran, tetrahydro-)