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	hartrees
Energy at 0K	-154.915961
Energy at 298.15K	-154.922685
HF Energy	-154.744307
Nuclear repulsion energy	81.896873

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'	3829	3829	10.44	107.02	0.32	0.48
2	A'	3142	3142	35.48	63.46	0.75	0.86
3	A'	3068	3068	17.88	127.59	0.01	0.02
4	A'	3010	3010	78.09	118.23	0.12	0.21
5	A'	1565	1565	1.36	3.94	0.71	0.83
6	A'	1536	1536	3.52	18.94	0.75	0.86
7	A'	1491	1491	11.21	4.59	0.42	0.59
8	A'	1432	1432	3.69	0.45	0.63	0.77
9	A'	1301	1301	90.61	4.25	0.75	0.86
10	A'	1124	1124	19.11	6.20	0.60	0.75
11	A'	1059	1059	61.57	3.53	0.19	0.32
12	A'	918	918	11.46	5.62	0.37	0.54
13	A'	422	422	12.78	0.33	0.66	0.79
14	A"	3149	3149	39.14	49.75	0.75	0.86
15	A"	3039	3039	70.29	103.80	0.75	0.86
16	A"	1516	1516	7.29	11.30	0.75	0.86
17	A"	1325	1325	0.02	10.30	0.75	0.86
18	A"	1202	1202	4.81	1.82	0.75	0.86
19	A"	834	834	0.00	0.07	0.75	0.86
20	A"	310	310	117.08	3.47	0.75	0.86
21	A"	259	259	32.15	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.169	-0.404	0.000
C2	0.000	0.558	0.000
O3	-1.193	-0.220	0.000
H4	-1.945	0.377	0.000
H5	2.118	0.138	0.000
H6	1.133	-1.042	0.884
H7	1.133	-1.042	-0.884
H8	0.044	1.204	0.886
H9	0.044	1.204	-0.886

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5137	2.3689	3.2104	1.0920	1.0908	1.0908	2.1535	2.1535
C2	1.5137		1.4239	1.9532	2.1590	2.1502	2.1502	1.0979	1.0979
O3	2.3689	1.4239		0.9605	3.3296	2.6198	2.6198	2.0838	2.0838
H4	3.2104	1.9532	0.9605		4.0696	3.5023	3.5023	2.3288	2.3288
H5	1.0920	2.1590	3.3296	4.0696		1.7728	1.7728	2.4951	2.4951
H6	1.0908	2.1502	2.6198	3.5023	1.7728		1.7671	2.4963	3.0602
H7	1.0908	2.1502	2.6198	3.5023	1.7728	1.7671		3.0602	2.4963
H8	2.1535	1.0979	2.0838	2.3288	2.4951	2.4963	3.0602		1.7729
H9	2.1535	1.0979	2.0838	2.3288	2.4951	3.0602	2.4963	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.459	C1	C2	H8	110.074
C1	C2	H9	110.074	C2	C1	H5	110.868
C2	C1	H6	110.237	C2	C1	H7	110.237
C2	O3	H4	108.438	O3	C2	H8	110.781
O3	C2	H9	110.781	H5	C1	H6	108.618
H5	C1	H7	108.618	H6	C1	H7	108.194
H8	C2	H9	107.686

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)