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	hartrees
Energy at 0K	-117.102325
Energy at 298.15K
HF Energy	-117.102325
Nuclear repulsion energy	76.342827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3276	2964	0.00	308.89	0.02	0.05
2	A₁'	1650	1493	0.00	3.45	0.04	0.07
3	A₁'	1281	1159	0.00	50.69	0.06	0.11
4	A₁"	1252	1132	0.00	0.00	0.75	0.86
5	A₂'	1208	1093	0.00	0.00	0.75	0.86
6	A₂"	3360	3040	48.89	0.00	0.73	0.84
7	A₂"	913	826	0.21	0.00	0.00	0.00
8	E'	3263	2951	33.17	22.52	0.75	0.86
8	E'	3263	2951	33.17	22.52	0.75	0.86
9	E'	1592	1440	0.55	3.82	0.75	0.86
9	E'	1592	1440	0.55	3.82	0.75	0.86
10	E'	1167	1055	4.83	1.82	0.75	0.86
10	E'	1167	1055	4.83	1.82	0.75	0.86
11	E'	940	851	26.52	9.47	0.75	0.86
11	E'	940	851	26.52	9.47	0.75	0.86
12	E"	3336	3018	0.00	94.52	0.75	0.86
12	E"	3336	3018	0.00	94.52	0.75	0.86
13	E"	1312	1187	0.00	1.28	0.75	0.86
13	E"	1312	1187	0.00	1.28	0.75	0.86
14	E"	794	718	0.00	0.46	0.75	0.86
14	E"	794	718	0.00	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.864	0.000
C2	0.748	-0.432	0.000
C3	-0.748	-0.432	0.000
H4	0.000	1.446	0.901
H5	1.253	-0.723	0.901
H6	-1.253	-0.723	0.901
H7	0.000	1.446	-0.901
H8	1.253	-0.723	-0.901
H9	-1.253	-0.723	-0.901

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4960	1.4960	1.0732	2.2135	2.2135	1.0732	2.2135	2.2135
C2	1.4960		1.4960	2.2135	1.0732	2.2135	2.2135	1.0732	2.2135
C3	1.4960	1.4960		2.2135	2.2135	1.0732	2.2135	2.2135	1.0732
H4	1.0732	2.2135	2.2135		2.5052	2.5052	1.8024	3.0863	3.0863
H5	2.2135	1.0732	2.2135	2.5052		2.5053	3.0863	1.8024	3.0863
H6	2.2135	2.2135	1.0732	2.5052	2.5053		3.0863	3.0863	1.8024
H7	1.0732	2.2135	2.2135	1.8024	3.0863	3.0863		2.5052	2.5052
H8	2.2135	1.0732	2.2135	3.0863	1.8024	3.0863	2.5052		2.5053
H9	2.2135	2.2135	1.0732	3.0863	3.0863	1.8024	2.5052	2.5053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.047
C1	C2	H8	118.047	C1	C3	C2	60.000
C1	C3	H6	118.047	C1	C3	H9	118.047
C2	C1	C3	60.000	C2	C1	H4	118.047
C2	C1	H7	118.047	C2	C3	H6	118.047
C2	C3	H9	118.047	C3	C1	H4	118.047
C3	C1	H7	118.047	C3	C2	H5	118.047
C3	C2	H8	118.047	H4	C1	H7	114.232
H5	C2	H8	114.232	H6	C3	H9	114.232

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	C	-1.254
2	C	-1.254
3	C	-1.254
4	H	0.627
5	H	0.627
6	H	0.627
7	H	0.627
8	H	0.627
9	H	0.627

<r²>	43.361
(<r²>)^1/2	6.585

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)