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	hartrees
Energy at 0K	-308.302181
Energy at 298.15K	-308.313795
Nuclear repulsion energy	245.807008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3866	3671	0.00
2	A_g	3075	2919	0.00
3	A_g	3034	2881	0.00
4	A_g	1542	1464	0.00
5	A_g	1503	1427	0.00
6	A_g	1468	1394	0.00
7	A_g	1384	1314	0.00
8	A_g	1275	1211	0.00
9	A_g	1099	1044	0.00
10	A_g	1085	1030	0.00
11	A_g	1056	1002	0.00
12	A_g	361	342	0.00
13	A_g	339	322	0.00
14	A_u	3145	2986	60.54
15	A_u	3078	2922	62.52
16	A_u	1336	1268	1.49
17	A_u	1228	1166	2.71
18	A_u	955	907	1.72
19	A_u	764	725	0.48
20	A_u	266	252	214.74
21	A_u	92	88	14.87
22	A_u	80	76	6.19
23	B_g	3124	2966	0.00
24	B_g	3079	2923	0.00
25	B_g	1327	1260	0.00
26	B_g	1298	1233	0.00
27	B_g	1186	1126	0.00
28	B_g	822	781	0.00
29	B_g	263	249	0.00
30	B_g	157	149	0.00
31	B_u	3866	3671	74.21
32	B_u	3083	2928	52.62
33	B_u	3034	2880	89.98
34	B_u	1545	1467	5.17
35	B_u	1513	1437	3.84
36	B_u	1468	1394	11.56
37	B_u	1306	1240	75.81
38	B_u	1215	1154	26.04
39	B_u	1092	1037	208.29
40	B_u	1017	966	0.52
41	B_u	524	497	37.06
42	B_u	135	128	5.92

Atom	x (Å)	y (Å)	z (Å)
O1	1.495	2.643	0.000
O2	-1.495	-2.643	0.000
C3	1.495	1.221	0.000
C4	-1.495	-1.221	0.000
C5	0.055	0.759	0.000
C6	-0.055	-0.759	0.000
H7	2.410	2.937	0.000
H8	-2.410	-2.937	0.000
H9	-0.442	1.176	0.877
H10	-0.442	1.176	-0.877
H11	0.442	-1.176	0.877
H12	0.442	-1.176	-0.877
H13	-2.006	-0.828	-0.884
H14	-2.006	-0.828	0.884
H15	2.006	0.828	-0.884
H16	2.006	0.828	0.884

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		6.0736	1.4227	4.8856	2.3714	3.7387	0.9607	6.8105	2.5831	2.5831	4.0581	4.0581	5.0089	5.0089	2.0832	2.0832
O2	6.0736		4.8856	1.4227	3.7387	2.3714	6.8105	0.9607	4.0581	4.0581	2.5831	2.5831	2.0832	2.0832	5.0089	5.0089
C3	1.4227	4.8856		3.8598	1.5117	2.5142	1.9447	5.7034	2.1263	2.1263	2.7611	2.7611	4.1517	4.1517	1.0944	1.0944
C4	4.8856	1.4227	3.8598		2.5142	1.5117	5.7034	1.9447	2.7611	2.7611	2.1263	2.1263	1.0944	1.0944	4.1517	4.1517
C5	2.3714	3.7387	1.5117	2.5142		1.5216	3.2072	4.4422	1.0913	1.0913	2.1593	2.1593	2.7477	2.7477	2.1431	2.1431
C6	3.7387	2.3714	2.5142	1.5117	1.5216		4.4422	3.2072	2.1593	2.1593	1.0913	1.0913	2.1431	2.1431	2.7477	2.7477
H7	0.9607	6.8105	1.9447	5.7034	3.2072	4.4422		7.5976	3.4639	3.4639	4.6432	4.6432	5.8698	5.8698	2.3221	2.3221
H8	6.8105	0.9607	5.7034	1.9447	4.4422	3.2072	7.5976		4.6432	4.6432	3.4639	3.4639	2.3221	2.3221	5.8698	5.8698
H9	2.5831	4.0581	2.1263	2.7611	1.0913	2.1593	3.4639	4.6432		1.7549	2.5125	3.0646	3.0932	2.5425	3.0359	2.4726
H10	2.5831	4.0581	2.1263	2.7611	1.0913	2.1593	3.4639	4.6432	1.7549		3.0646	2.5125	2.5425	3.0932	2.4726	3.0359
H11	4.0581	2.5831	2.7611	2.1263	2.1593	1.0913	4.6432	3.4639	2.5125	3.0646		1.7549	3.0359	2.4726	3.0932	2.5425
H12	4.0581	2.5831	2.7611	2.1263	2.1593	1.0913	4.6432	3.4639	3.0646	2.5125	1.7549		2.4726	3.0359	2.5425	3.0932
H13	5.0089	2.0832	4.1517	1.0944	2.7477	2.1431	5.8698	2.3221	3.0932	2.5425	3.0359	2.4726		1.7683	4.3409	4.6872
H14	5.0089	2.0832	4.1517	1.0944	2.7477	2.1431	5.8698	2.3221	2.5425	3.0932	2.4726	3.0359	1.7683		4.6872	4.3409
H15	2.0832	5.0089	1.0944	4.1517	2.1431	2.7477	2.3221	5.8698	3.0359	2.4726	3.0932	2.5425	4.3409	4.6872		1.7683
H16	2.0832	5.0089	1.0944	4.1517	2.1431	2.7477	2.3221	5.8698	2.4726	3.0359	2.5425	3.0932	4.6872	4.3409	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C5	107.790	O1	C3	H15	111.036
O1	C3	H16	111.036	O2	C4	C6	107.790
O2	C4	H13	111.036	O2	C4	H14	111.036
C3	O1	H7	107.781	C3	C5	C6	111.967
C3	C5	H9	108.465	C3	C5	H10	108.465
C4	O2	H8	107.781	C4	C6	C5	111.967
C4	C6	H11	108.465	C4	C6	H12	108.465
C5	C3	H15	109.598	C5	C3	H16	109.598
C5	C6	H11	110.378	C5	C6	H12	110.378
C6	C4	H13	109.598	C6	C4	H14	109.598
C6	C5	H9	110.378	C6	C5	H10	110.378
H9	C5	H10	107.031	H11	C6	H12	107.031
H13	C4	H14	107.777	H15	C3	H16	107.777

All results from a given calculation for C₄H₁₀O₂ (1,4-Butanediol)

using model chemistry: MP2/cc-pVTZ

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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All results from a given calculation for C4H10O2 (1,4-Butanediol)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₁₀O₂ (1,4-Butanediol)