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	hartrees
Energy at 0K	-154.580885
Energy at 298.15K	-154.587607
HF Energy	-154.091500
Nuclear repulsion energy	81.690813

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'	3860	3669	28.89	94.24	0.29	0.45
2	A'	3203	3045	21.14	61.94	0.75	0.86
3	A'	3099	2946	13.77	129.26	0.01	0.02
4	A'	3036	2885	69.63	115.74	0.11	0.20
5	A'	1537	1460	2.24	4.67	0.69	0.82
6	A'	1506	1431	2.65	17.56	0.75	0.86
7	A'	1479	1406	13.36	5.51	0.45	0.62
8	A'	1398	1329	1.03	0.42	0.74	0.85
9	A'	1291	1227	79.02	3.67	0.75	0.86
10	A'	1142	1085	37.07	5.50	0.67	0.80
11	A'	1066	1013	33.76	4.52	0.14	0.25
12	A'	924	878	11.28	4.93	0.35	0.51
13	A'	417	396	10.59	0.26	0.70	0.82
14	A"	3207	3048	22.62	51.95	0.75	0.86
15	A"	3081	2928	68.73	95.29	0.75	0.86
16	A"	1483	1410	5.24	12.72	0.75	0.86
17	A"	1310	1245	0.00	9.35	0.75	0.86
18	A"	1191	1132	4.80	1.89	0.75	0.86
19	A"	826	785	0.00	0.08	0.75	0.86
20	A"	307	292	85.71	3.20	0.75	0.86
21	A"	260	247	32.55	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.166	-0.413	0.000
C2	0.000	0.558	0.000
O3	-1.194	-0.214	0.000
H4	-1.929	0.411	0.000
H5	2.126	0.126	0.000
H6	1.121	-1.057	0.892
H7	1.121	-1.057	-0.892
H8	0.058	1.212	0.892
H9	0.058	1.212	-0.892

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5174	2.3683	3.2032	1.1011	1.1005	1.1005	2.1605	2.1605
C2	1.5174		1.4218	1.9346	2.1692	2.1584	2.1584	1.1081	1.1081
O3	2.3683	1.4218		0.9656	3.3371	2.6199	2.6199	2.0972	2.0972
H4	3.2032	1.9346	0.9656		4.0649	3.5007	3.5007	2.3205	2.3205
H5	1.1011	2.1692	3.3371	4.0649		1.7900	1.7900	2.5006	2.5006
H6	1.1005	2.1584	2.6199	3.5007	1.7900		1.7834	2.5061	3.0762
H7	1.1005	2.1584	2.6199	3.5007	1.7900	1.7834		3.0762	2.5061
H8	2.1605	1.1081	2.0972	2.3205	2.5006	2.5061	3.0762		1.7843
H9	2.1605	1.1081	2.0972	2.3205	2.5006	3.0762	2.5061	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.319	C1	C2	H8	109.763
C1	C2	H9	109.763	C2	C1	H5	110.866
C2	C1	H6	110.049	C2	C1	H7	110.049
C2	O3	H4	106.697	O3	C2	H8	111.383
O3	C2	H9	111.383	H5	C1	H6	108.788
H5	C1	H7	108.788	H6	C1	H7	108.241
H8	C2	H9	107.238

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)