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	hartrees
Energy at 0K	-153.465145
Energy at 298.15K
HF Energy	-152.935686
Nuclear repulsion energy	68.812179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3180	3106
2	A'	3058	2987
3	A'	2930	2862
4	A'	1768	1728
5	A'	1510	1475
6	A'	1444	1410
7	A'	1421	1389
8	A'	1152	1125
9	A'	910	889
10	A'	507	495
11	A"	3131	3059
12	A"	1517	1482
13	A"	1150	1123
14	A"	785	767
15	A"	144	141

Atom	x (Å)	y (Å)	z (Å)
C1	0.229	0.406	0.000
C2	-1.180	-0.152	0.000
O3	1.250	-0.280	-0.000
H4	0.306	1.525	0.000
H5	-1.160	-1.254	0.001
H6	-1.720	0.222	0.890
H7	-1.720	0.221	-0.891

	C1	C2	O3	H4	H5	H6	H7
C1		1.5162	1.2296	1.1212	2.1647	2.1512	2.1512
C2	1.5162		2.4334	2.2408	1.1018	1.1065	1.1065
O3	1.2296	2.4334		2.0367	2.5990	3.1412	3.1408
H4	1.1212	2.2408	2.0367		3.1416	2.5679	2.5683
H5	2.1647	1.1018	2.5990	3.1416		1.8125	1.8125
H6	2.1512	1.1065	3.1412	2.5679	1.8125		1.7807
H7	2.1512	1.1065	3.1408	2.5683	1.8125	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.549	C1	C2	H6	109.217
C1	C2	H7	109.217	C2	C1	O3	124.472
C2	C1	H4	115.523	O3	C1	H4	120.005
H5	C2	H6	110.316	H5	C2	H7	110.316
H6	C2	H7	107.153

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4/aug-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 CH3CHO (Acetaldehyde)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)