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	hartrees
Energy at 0K	-154.336169
Energy at 298.15K	-154.342782
HF Energy	-154.040268
Nuclear repulsion energy	79.841101

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'	3658	3523	6.71	113.57	0.30	0.46
2	A'	3138	3022	40.77	47.15	0.74	0.85
3	A'	3037	2925	22.72	176.16	0.02	0.03
4	A'	3022	2910	75.05	64.32	0.16	0.28
5	A'	1556	1498	0.73	2.43	0.75	0.85
6	A'	1542	1485	6.06	20.09	0.74	0.85
7	A'	1467	1413	18.99	4.06	0.47	0.64
8	A'	1447	1394	1.45	0.81	0.74	0.85
9	A'	1264	1217	60.87	12.96	0.59	0.74
10	A'	1091	1051	0.14	7.76	0.39	0.56
11	A'	1024	986	67.95	5.98	0.49	0.66
12	A'	869	837	23.83	11.87	0.22	0.37
13	A'	403	388	17.56	0.43	0.62	0.76
14	A"	3156	3039	48.06	31.70	0.75	0.86
15	A"	3080	2966	60.22	67.59	0.75	0.86
16	A"	1522	1466	6.53	12.82	0.75	0.86
17	A"	1304	1256	1.04	15.50	0.75	0.86
18	A"	1180	1136	4.85	5.66	0.75	0.86
19	A"	850	818	0.93	0.23	0.75	0.86
20	A"	297	286	136.41	6.25	0.75	0.86
21	A"	228	220	59.02	1.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.208	-0.371	0.000
C2	0.000	0.589	0.000
O3	-1.216	-0.277	0.000
H4	-2.037	0.267	0.000
H5	2.152	0.204	0.000
H6	1.181	-1.013	0.896
H7	1.181	-1.013	-0.896
H8	0.003	1.232	0.901
H9	0.003	1.232	-0.901

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5428	2.4264	3.3075	1.1052	1.1024	1.1024	2.1984	2.1984
C2	1.5428		1.4929	2.0625	2.1861	2.1821	2.1821	1.1071	1.1071
O3	2.4264	1.4929		0.9846	3.4026	2.6630	2.6630	2.1388	2.1388
H4	3.3075	2.0625	0.9846		4.1897	3.5773	3.5773	2.4299	2.4299
H5	1.1052	2.1861	3.4026	4.1897		1.7963	1.7963	2.5469	2.5469
H6	1.1024	2.1821	2.6630	3.5773	1.7963		1.7917	2.5349	3.1072
H7	1.1024	2.1821	2.6630	3.5773	1.7963	1.7917		3.1072	2.5349
H8	2.1984	1.1071	2.1388	2.4299	2.5469	2.5349	3.1072		1.8023
H9	2.1984	1.1071	2.1388	2.4299	2.5469	3.1072	2.5349	1.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.113	C1	C2	H8	111.054
C1	C2	H9	111.054	C2	C1	H5	110.193
C2	C1	H6	110.047	C2	C1	H7	110.047
C2	O3	H4	111.041	O3	C2	H8	109.805
O3	C2	H9	109.805	H5	C1	H6	108.909
H5	C1	H7	108.909	H6	C1	H7	108.699
H8	C2	H9	108.977

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)