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	hartrees
Energy at 0K	-231.398005
Energy at 298.15K	-231.404546
HF Energy	-230.517345
Nuclear repulsion energy	217.819692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3227	3121
2	A₁'	1299	1256
3	A₁'	1113	1077
4	A₁'	932	901
5	A₁"	972	940
6	A₁"	633	612
7	A₂'	981	948
8	A₂"	3219	3113
9	A₂"	1338	1293
10	A₂"	949	918
11	E'	3213	3107
11	E'	3212	3106
12	E'	1255	1213
12	E'	1254	1213
13	E'	931	900
13	E'	931	900
14	E'	832	804
14	E'	831	803
15	E'	811	784
15	E'	810	784
16	E"	3200	3094
16	E"	3200	3094
17	E"	1152	1114
17	E"	1151	1113
18	E"	1009	975
18	E"	1008	975
19	E"	757	732
19	E"	756	731
20	E"	668	645
20	E"	667	645

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.889	0.785
C2	-0.770	-0.445	0.785
C3	0.770	-0.445	0.785
C4	0.000	0.889	-0.785
C5	0.770	-0.445	-0.785
C6	-0.770	-0.445	-0.785
H7	0.000	1.693	1.530
H8	-1.466	-0.846	1.530
H9	1.466	-0.846	1.530
H10	0.000	1.693	-1.530
H11	1.466	-0.846	-1.530
H12	-1.466	-0.846	-1.530

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.5400	1.5400	1.5695	2.1988	2.1988	1.0957	2.3906	2.3906	2.4500	3.2430	3.2430
C2	1.5400		1.5400	2.1988	2.1988	1.5695	2.3906	1.0957	2.3906	3.2430	3.2430	2.4500
C3	1.5400	1.5400		2.1988	1.5695	2.1988	2.3906	2.3906	1.0957	3.2430	2.4500	3.2430
C4	1.5695	2.1988	2.1988		1.5400	1.5400	2.4500	3.2430	3.2430	1.0957	2.3906	2.3906
C5	2.1988	2.1988	1.5695	1.5400		1.5400	3.2430	3.2430	2.4500	2.3906	1.0957	2.3906
C6	2.1988	1.5695	2.1988	1.5400	1.5400		3.2430	2.4500	3.2430	2.3906	2.3906	1.0957
H7	1.0957	2.3906	2.3906	2.4500	3.2430	3.2430		2.9316	2.9316	3.0595	4.2373	4.2373
H8	2.3906	1.0957	2.3906	3.2430	3.2430	2.4500	2.9316		2.9316	4.2373	4.2373	3.0595
H9	2.3906	2.3906	1.0957	3.2430	2.4500	3.2430	2.9316	2.9316		4.2373	3.0595	4.2373
H10	2.4500	3.2430	3.2430	1.0957	2.3906	2.3906	3.0595	4.2373	4.2373		2.9316	2.9316
H11	3.2430	3.2430	2.4500	2.3906	1.0957	2.3906	4.2373	4.2373	3.0595	2.9316		2.9316
H12	3.2430	2.4500	3.2430	2.3906	2.3906	1.0957	4.2373	3.0595	4.2373	2.9316	2.9316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	C6	90.000
C1	C2	H8	129.422	C1	C3	C2	60.000
C1	C3	C5	90.000	C1	C3	H9	129.422
C1	C4	C5	90.000	C1	C4	C6	90.000
C1	C4	H10	132.840	C2	C1	C3	60.000
C2	C1	C4	90.000	C2	C1	H7	129.422
C2	C3	C5	90.000	C2	C3	H9	129.422
C2	C6	C4	90.000	C2	C6	C5	90.000
C2	C6	H12	132.840	C3	C1	C4	90.000
C3	C1	H7	129.422	C3	C2	C6	90.000
C3	C2	H8	129.422	C3	C5	C4	90.000
C3	C5	C6	90.000	C3	C5	H11	132.840
C4	C1	H7	132.840	C4	C5	C6	60.000
C4	C5	H11	129.422	C4	C6	H12	129.422
C5	C3	H9	132.840	C5	C4	C6	60.000
C5	C4	H10	129.422	C5	C6	H12	129.422
C6	C2	H8	132.840	C6	C4	C5	60.000
C6	C4	H10	129.422	C6	C5	H11	129.422

All results from a given calculation for C₆H₆ (Prismane)

using model chemistry: MP4/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 C6H6 (Prismane)

using model chemistry: MP4/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₆ (Prismane)