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	hartrees
Energy at 0K	-118.788356
Energy at 298.15K	-118.796759
HF Energy	-118.287516
Nuclear repulsion energy	82.361587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3145	38.74
2	A₁	3049	3049	30.07
3	A₁	3040	3040	16.69
4	A₁	1503	1503	4.08
5	A₁	1474	1474	0.02
6	A₁	1410	1410	2.80
7	A₁	1174	1174	0.56
8	A₁	903	903	0.77
9	A₁	365	365	0.03
10	A₂	3131	3131	0.00
11	A₂	1482	1482	0.00
12	A₂	1307	1307	0.00
13	A₂	891	891	0.00
14	A₂	234	234	0.00
15	B₁	3140	3140	78.61
16	B₁	3095	3095	2.63
17	B₁	1500	1500	12.40
18	B₁	1196	1196	0.08
19	B₁	741	741	2.17
20	B₁	283	283	0.00
21	B₂	3143	3143	26.01
22	B₂	3038	3038	30.73
23	B₂	1488	1488	1.54
24	B₂	1400	1400	4.13
25	B₂	1347	1347	2.27
26	B₂	1095	1095	0.32
27	B₂	925	925	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.594
C2	0.000	1.264	-0.261
C3	0.000	-1.264	-0.261
H4	0.884	0.000	1.257
H5	-0.884	0.000	1.257
H6	0.000	2.179	0.352
H7	0.000	-2.179	0.352
H8	0.889	1.296	-0.914
H9	-0.889	1.296	-0.914
H10	-0.889	-1.296	-0.914
H11	0.889	-1.296	-0.914

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5261	1.5261	1.1047	1.1047	2.1924	2.1924	2.1779	2.1779	2.1779	2.1779
C2	1.5261		2.5284	2.1638	2.1638	1.1013	3.4974	1.1036	1.1036	2.7875	2.7875
C3	1.5261	2.5284		2.1638	2.1638	3.4974	1.1013	2.7875	2.7875	1.1036	1.1036
H4	1.1047	2.1638	2.1638		1.7679	2.5194	2.5194	2.5279	3.0877	3.0877	2.5279
H5	1.1047	2.1638	2.1638	1.7679		2.5194	2.5194	3.0877	2.5279	2.5279	3.0877
H6	2.1924	1.1013	3.4974	2.5194	2.5194		4.3580	1.7816	1.7816	3.8036	3.8036
H7	2.1924	3.4974	1.1013	2.5194	2.5194	4.3580		3.8036	3.8036	1.7816	1.7816
H8	2.1779	1.1036	2.7875	2.5279	3.0877	1.7816	3.8036		1.7780	3.1427	2.5914
H9	2.1779	1.1036	2.7875	3.0877	2.5279	1.7816	3.8036	1.7780		2.5914	3.1427
H10	2.1779	2.7875	1.1036	3.0877	2.5279	3.8036	1.7816	3.1427	2.5914		1.7780
H11	2.1779	2.7875	1.1036	2.5279	3.0877	3.8036	1.7816	2.5914	3.1427	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	112.103	C1	C2	H8	110.806
C1	C2	H9	110.806	C1	C3	H7	112.103
C1	C3	H10	110.806	C1	C3	H11	110.806
C2	C1	C3	111.868	C2	C1	H4	109.632
C2	C1	H5	109.632	C3	C1	H4	109.632
C3	C1	H5	109.632	H4	C1	H5	106.290
H6	C2	H8	107.804	H6	C2	H9	107.804
H7	C3	H10	107.804	H7	C3	H11	107.804
H8	C2	H9	107.326	H10	C3	H11	107.326

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2=FULL/Sadlej_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 C3H8 (Propane)

using model chemistry: MP2=FULL/Sadlej_pVTZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)