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	hartrees
Energy at 0K	-151.118836
Energy at 298.15K	-151.122631
HF Energy	-150.940656
Nuclear repulsion energy	67.400117

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'	3564	3168	0.65	23.13	0.75	0.86
2	A'	3370	2995	0.01	36.21	0.02	0.04
3	A'	3294	2928	40.72	44.70	0.33	0.49
4	A'	1779	1582	17.12	3.73	0.75	0.86
5	A'	1708	1518	6.98	13.49	0.75	0.85
6	A'	1587	1410	1.57	4.89	0.75	0.86
7	A'	1504	1337	13.33	9.36	0.75	0.86
8	A'	1203	1069	21.77	5.18	0.53	0.69
9	A'	978	869	3.82	5.44	0.35	0.52
10	A'	500	445	5.10	1.14	0.57	0.72
11	A"	3545	3151	0.58	27.71	0.75	0.86
12	A"	1712	1522	2.55	14.15	0.75	0.86
13	A"	1176	1046	0.72	0.50	0.75	0.86
14	A"	807	718	1.33	2.87	0.75	0.86
15	A"	151	134	0.35	0.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.483	0.000
C2	-0.979	-0.733	0.000
O3	1.258	0.387	0.000
H4	-0.519	1.480	0.000
H5	-0.419	-1.683	0.000
H6	-1.626	-0.695	0.893
H7	-1.626	-0.695	-0.893

	C1	C2	O3	H4	H5	H6	H7
C1		1.5607	1.2616	1.1244	2.2053	2.1978	2.1978
C2	1.5607		2.5016	2.2602	1.1026	1.1040	1.1040
O3	1.2616	2.5016		2.0863	2.6635	3.2076	3.2076
H4	1.1244	2.2602	2.0863		3.1642	2.5992	2.5992
H5	2.2053	1.1026	2.6635	3.1642		1.7976	1.7976
H6	2.1978	1.1040	3.2076	2.5992	1.7976		1.7869
H7	2.1978	1.1040	3.2076	2.5992	1.7976	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.614	C1	C2	H6	109.951
C1	C2	H7	109.951	C2	C1	O3	124.498
C2	C1	H4	113.661	O3	C1	H4	121.841
H5	C2	H6	109.110	H5	C2	H7	109.110
H6	C2	H7	108.054

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2=FULL/STO-3G

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 CH3CHO (Acetaldehyde)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)