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	hartrees
Energy at 0K	-231.593716
Energy at 298.15K	-231.600284
HF Energy	-230.550448
Nuclear repulsion energy	219.161936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3228	3104
2	A₁'	1300	1250
3	A₁'	1119	1076
4	A₁'	944	908
5	A₁"	970	932
6	A₁"	638	614
7	A₂'	996	957
8	A₂"	3220	3096
9	A₂"	1337	1286
10	A₂"	960	923
11	E'	3214	3090
11	E'	3213	3090
12	E'	1260	1212
12	E'	1260	1211
13	E'	930	894
13	E'	930	894
14	E'	845	812
14	E'	844	811
15	E'	821	789
15	E'	820	789
16	E"	3201	3078
16	E"	3201	3078
17	E"	1158	1113
17	E"	1157	1113
18	E"	1004	966
18	E"	1004	965
19	E"	760	731
19	E"	760	730
20	E"	663	638
20	E"	663	638

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.884	0.781
C2	-0.765	-0.442	0.781
C3	0.765	-0.442	0.781
C4	0.000	0.884	-0.781
C5	0.765	-0.442	-0.781
C6	-0.765	-0.442	-0.781
H7	0.000	1.679	1.520
H8	-1.454	-0.839	1.520
H9	1.454	-0.839	1.520
H10	0.000	1.679	-1.520
H11	1.454	-0.839	-1.520
H12	-1.454	-0.839	-1.520

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.5308	1.5308	1.5617	2.1868	2.1868	1.0856	2.3726	2.3726	2.4345	3.2214	3.2214
C2	1.5308		1.5308	2.1868	2.1868	1.5617	2.3726	1.0856	2.3726	3.2214	3.2214	2.4345
C3	1.5308	1.5308		2.1868	1.5617	2.1868	2.3726	2.3726	1.0856	3.2214	2.4345	3.2214
C4	1.5617	2.1868	2.1868		1.5308	1.5308	2.4345	3.2214	3.2214	1.0856	2.3726	2.3726
C5	2.1868	2.1868	1.5617	1.5308		1.5308	3.2214	3.2214	2.4345	2.3726	1.0856	2.3726
C6	2.1868	1.5617	2.1868	1.5308	1.5308		3.2214	2.4345	3.2214	2.3726	2.3726	1.0856
H7	1.0856	2.3726	2.3726	2.4345	3.2214	3.2214		2.9076	2.9076	3.0405	4.2070	4.2070
H8	2.3726	1.0856	2.3726	3.2214	3.2214	2.4345	2.9076		2.9076	4.2070	4.2070	3.0405
H9	2.3726	2.3726	1.0856	3.2214	2.4345	3.2214	2.9076	2.9076		4.2070	3.0405	4.2070
H10	2.4345	3.2214	3.2214	1.0856	2.3726	2.3726	3.0405	4.2070	4.2070		2.9076	2.9076
H11	3.2214	3.2214	2.4345	2.3726	1.0856	2.3726	4.2070	4.2070	3.0405	2.9076		2.9076
H12	3.2214	2.4345	3.2214	2.3726	2.3726	1.0856	4.2070	3.0405	4.2070	2.9076	2.9076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	C6	90.000
C1	C2	H8	129.353	C1	C3	C2	60.000
C1	C3	C5	90.000	C1	C3	H9	129.353
C1	C4	C5	90.000	C1	C4	C6	90.000
C1	C4	H10	132.929	C2	C1	C3	60.000
C2	C1	C4	90.000	C2	C1	H7	129.353
C2	C3	C5	90.000	C2	C3	H9	129.353
C2	C6	C4	90.000	C2	C6	C5	90.000
C2	C6	H12	132.929	C3	C1	C4	90.000
C3	C1	H7	129.353	C3	C2	C6	90.000
C3	C2	H8	129.353	C3	C5	C4	90.000
C3	C5	C6	90.000	C3	C5	H11	132.929
C4	C1	H7	132.929	C4	C5	C6	60.000
C4	C5	H11	129.353	C4	C6	H12	129.353
C5	C3	H9	132.929	C5	C4	C6	60.000
C5	C4	H10	129.353	C5	C6	H12	129.353
C6	C2	H8	132.929	C6	C4	C5	60.000
C6	C4	H10	129.353	C6	C5	H11	129.353

All results from a given calculation for C₆H₆ (Prismane)

using model chemistry: MP4=FULL/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 C6H6 (Prismane)

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

States and conformations

All results from a given calculation for C₆H₆ (Prismane)