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	hartrees
Energy at 0K	-118.827437
Energy at 298.15K	-118.835828
HF Energy	-118.295121
Nuclear repulsion energy	82.229590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3118	3023
2	A₁	3039	2947
3	A₁	3034	2942
4	A₁	1525	1479
5	A₁	1502	1456
6	A₁	1433	1390
7	A₁	1189	1153
8	A₁	889	862
9	A₁	365	354
10	A₂	3106	3012
11	A₂	1502	1457
12	A₂	1327	1287
13	A₂	915	887
14	A₂	220	214
15	B₁	3116	3022
16	B₁	3073	2980
17	B₁	1519	1473
18	B₁	1230	1193
19	B₁	755	732
20	B₁	283	274
21	B₂	3115	3021
22	B₂	3031	2939
23	B₂	1510	1464
24	B₂	1423	1380
25	B₂	1377	1336
26	B₂	1081	1048
27	B₂	935	906

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.592
C2	0.000	1.275	-0.262
C3	0.000	-1.275	-0.262
H4	0.882	0.000	1.249
H5	-0.882	0.000	1.249
H6	0.000	2.176	0.363
H7	0.000	-2.176	0.363
H8	0.888	1.309	-0.908
H9	-0.888	1.309	-0.908
H10	-0.888	-1.309	-0.908
H11	0.888	-1.309	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5344	1.5344	1.0994	1.0994	2.1884	2.1884	2.1798	2.1798	2.1798	2.1798
C2	1.5344		2.5497	2.1645	2.1645	1.0973	3.5075	1.0984	1.0984	2.8075	2.8075
C3	1.5344	2.5497		2.1645	2.1645	3.5075	1.0973	2.8075	2.8075	1.0984	1.0984
H4	1.0994	2.1645	2.1645		1.7631	2.5096	2.5096	2.5231	3.0815	3.0815	2.5231
H5	1.0994	2.1645	2.1645	1.7631		2.5096	2.5096	3.0815	2.5231	2.5231	3.0815
H6	2.1884	1.0973	3.5075	2.5096	2.5096		4.3529	1.7767	1.7767	3.8149	3.8149
H7	2.1884	3.5075	1.0973	2.5096	2.5096	4.3529		3.8149	3.8149	1.7767	1.7767
H8	2.1798	1.0984	2.8075	2.5231	3.0815	1.7767	3.8149		1.7753	3.1633	2.6181
H9	2.1798	1.0984	2.8075	3.0815	2.5231	1.7767	3.8149	1.7753		2.6181	3.1633
H10	2.1798	2.8075	1.0984	3.0815	2.5231	3.8149	1.7767	3.1633	2.6181		1.7753
H11	2.1798	2.8075	1.0984	2.5231	3.0815	3.8149	1.7767	2.6181	3.1633	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.434	C1	C2	H8	110.684
C1	C2	H9	110.684	C1	C3	H7	111.434
C1	C3	H10	110.684	C1	C3	H11	110.684
C2	C1	C3	112.367	C2	C1	H4	109.423
C2	C1	H5	109.423	C3	C1	H4	109.423
C3	C1	H5	109.423	H4	C1	H5	106.616
H6	C2	H8	108.038	H6	C2	H9	108.038
H7	C3	H10	108.038	H7	C3	H11	108.038
H8	C2	H9	107.829	H10	C3	H11	107.829

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for C₃H₈ (Propane)