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	hartrees
Energy at 0K	-192.893214
Energy at 298.15K
HF Energy	-192.022952
Nuclear repulsion energy	118.797961

Atom	x (Å)	y (Å)	z (Å)
C1	1.443	0.448	0.000
C2	0.000	0.917	0.000
C3	-0.995	-0.208	0.000
O4	-0.701	-1.387	0.000
H5	2.124	1.295	0.000
H6	1.647	-0.162	0.876
H7	1.647	-0.162	-0.876
H8	-0.222	1.541	0.869
H9	-0.222	1.541	-0.869
H10	-2.053	0.102	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5169	2.5244	2.8214	1.0869	1.0868	1.0868	2.1729	2.1729	3.5127
C2	1.5169		1.5022	2.4079	2.1571	2.1549	2.1549	1.0924	1.0924	2.2087
C3	2.5244	1.5022		1.2144	3.4621	2.7834	2.7834	2.1004	2.1004	1.1029
O4	2.8214	2.4079	1.2144		3.8948	2.7886	2.7886	3.0910	3.0910	2.0116
H5	1.0869	2.1571	3.4621	3.8948		1.7660	1.7660	2.5138	2.5138	4.3436
H6	1.0868	2.1549	2.7834	2.7886	1.7660		1.7513	2.5288	3.0721	3.8112
H7	1.0868	2.1549	2.7834	2.7886	1.7660	1.7513		3.0721	2.5288	3.8112
H8	2.1729	1.0924	2.1004	3.0910	2.5138	2.5288	3.0721		1.7375	2.4849
H9	2.1729	1.0924	2.1004	3.0910	2.5138	3.0721	2.5288	1.7375		2.4849
H10	3.5127	2.2087	1.1029	2.0116	4.3436	3.8112	3.8112	2.4849	2.4849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.469	C1	C2	H8	111.727
C1	C2	H9	111.727	C2	C1	H5	110.792
C2	C1	H6	110.626	C2	C1	H7	110.626
C2	C3	O4	124.504	C2	C3	H10	115.101
C3	C2	H8	107.038	C3	C2	H9	107.038
O4	C3	H10	120.395	H5	C1	H6	108.668
H5	C1	H7	108.668	H6	C1	H7	107.361
H8	C2	H9	105.358

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: MP4=FULL/cc-pVTZ

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 CH3CH2CHO (Propanal)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)