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	hartrees
Energy at 0K	-154.892754
Energy at 298.15K	-154.899449
HF Energy	-154.155576
Nuclear repulsion energy	82.295310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3871	3702	39.44	97.31	0.18	0.31
2	A'	3191	3052	16.68	47.80	0.75	0.86
3	A'	3096	2961	11.88	165.10	0.00	0.01
4	A'	3060	2927	55.03	138.25	0.06	0.11
5	A'	1549	1482	1.66	2.40	0.74	0.85
6	A'	1522	1456	2.80	5.70	0.75	0.86
7	A'	1463	1400	12.57	1.51	0.38	0.55
8	A'	1409	1348	2.18	0.01	0.58	0.73
9	A'	1276	1220	60.52	0.78	0.75	0.85
10	A'	1125	1076	41.42	5.75	0.42	0.59
11	A'	1060	1014	47.05	5.65	0.12	0.21
12	A'	918	878	13.47	5.83	0.15	0.26
13	A'	419	400	10.99	0.31	0.58	0.73
14	A"	3196	3056	18.90	33.28	0.75	0.86
15	A"	3106	2971	32.60	81.06	0.75	0.86
16	A"	1505	1439	6.54	4.10	0.75	0.86
17	A"	1318	1261	0.00	3.05	0.75	0.86
18	A"	1192	1140	2.88	0.36	0.75	0.86
19	A"	825	789	0.20	0.14	0.75	0.86
20	A"	301	288	83.58	0.92	0.75	0.86
21	A"	246	236	32.44	0.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.166	-0.395	0.000
C2	0.000	0.555	0.000
O3	-1.186	-0.227	0.000
H4	-1.941	0.364	0.000
H5	2.102	0.154	0.000
H6	1.132	-1.027	0.880
H7	1.132	-1.027	-0.880
H8	0.035	1.194	0.882
H9	0.035	1.194	-0.882

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5037	2.3583	3.1984	1.0853	1.0845	1.0845	2.1406	2.1406
C2	1.5037		1.4208	1.9506	2.1403	2.1355	2.1355	1.0899	1.0899
O3	2.3583	1.4208		0.9584	3.3108	2.6059	2.6059	2.0710	2.0710
H4	3.1984	1.9506	0.9584		4.0491	3.4864	3.4864	2.3179	2.3179
H5	1.0853	2.1403	3.3108	4.0491		1.7641	1.7641	2.4769	2.4769
H6	1.0845	2.1355	2.6059	3.4864	1.7641		1.7602	2.4780	3.0405
H7	1.0845	2.1355	2.6059	3.4864	1.7641	1.7602		3.0405	2.4780
H8	2.1406	1.0899	2.0710	2.3179	2.4769	2.4780	3.0405		1.7637
H9	2.1406	1.0899	2.0710	2.3179	2.4769	3.0405	2.4780	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.458	C1	C2	H8	110.224
C1	C2	H9	110.224	C2	C1	H5	110.476
C2	C1	H6	110.135	C2	C1	H7	110.135
C2	O3	H4	108.576	O3	C2	H8	110.460
O3	C2	H9	110.460	H5	C1	H6	108.781
H5	C1	H7	108.781	H6	C1	H7	108.484
H8	C2	H9	108.028

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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 CH3CH2OH (Ethanol)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)