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	hartrees
Energy at 0K	-117.837611
Energy at 298.15K
HF Energy	-117.837611
Nuclear repulsion energy	75.973125

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'	3177	3039	0.00	277.69	0.03	0.06
2	A₁'	1535	1468	0.00	1.70	0.23	0.38
3	A₁'	1245	1191	0.00	40.79	0.08	0.15
4	A₁"	1153	1103	0.00	0.00	0.75	0.86
5	A₂'	1086	1039	0.00	0.00	0.75	0.86
6	A₂"	3270	3128	28.15	0.00	0.75	0.86
7	A₂"	860	823	0.99	0.00	0.75	0.86
8	E'	3168	3031	24.00	25.30	0.75	0.86
8	E'	3168	3031	24.01	25.30	0.75	0.86
9	E'	1474	1410	1.21	7.11	0.75	0.86
9	E'	1474	1410	1.21	7.11	0.75	0.86
10	E'	1061	1015	11.41	0.83	0.75	0.86
10	E'	1061	1015	11.41	0.83	0.75	0.86
11	E'	920	880	25.84	10.91	0.75	0.86
11	E'	920	880	25.84	10.91	0.75	0.86
12	E"	3251	3110	0.00	96.86	0.75	0.86
12	E"	3251	3110	0.00	96.87	0.75	0.86
13	E"	1212	1159	0.00	3.50	0.75	0.86
13	E"	1212	1159	0.00	3.50	0.75	0.86
14	E"	742	710	0.00	0.57	0.75	0.86
14	E"	742	710	0.00	0.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.866	0.000
C2	0.750	-0.433	0.000
C3	-0.750	-0.433	0.000
H4	0.000	1.454	0.910
H5	1.259	-0.727	0.910
H6	-1.259	-0.727	0.910
H7	0.000	1.454	-0.910
H8	1.259	-0.727	-0.910
H9	-1.259	-0.727	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4996	1.4996	1.0833	2.2251	2.2251	1.0833	2.2251	2.2251
C2	1.4996		1.4996	2.2251	1.0833	2.2251	2.2251	1.0833	2.2251
C3	1.4996	1.4996		2.2251	2.2251	1.0833	2.2251	2.2251	1.0833
H4	1.0833	2.2251	2.2251		2.5189	2.5189	1.8191	3.1071	3.1071
H5	2.2251	1.0833	2.2251	2.5189		2.5189	3.1071	1.8191	3.1071
H6	2.2251	2.2251	1.0833	2.5189	2.5189		3.1071	3.1071	1.8191
H7	1.0833	2.2251	2.2251	1.8191	3.1071	3.1071		2.5189	2.5189
H8	2.2251	1.0833	2.2251	3.1071	1.8191	3.1071	2.5189		2.5189
H9	2.2251	2.2251	1.0833	3.1071	3.1071	1.8191	2.5189	2.5189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.062
C1	C2	H8	118.062	C1	C3	C2	60.000
C1	C3	H6	118.062	C1	C3	H9	118.062
C2	C1	C3	60.000	C2	C1	H4	118.062
C2	C1	H7	118.062	C2	C3	H6	118.062
C2	C3	H9	118.062	C3	C1	H4	118.062
C3	C1	H7	118.062	C3	C2	H5	118.062
C3	C2	H8	118.062	H4	C1	H7	114.195
H5	C2	H8	114.195	H6	C3	H9	114.195

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B1B95/6-31+G**

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	-0.320
2	C	-0.320
3	C	-0.320
4	H	0.160
5	H	0.160
6	H	0.160
7	H	0.160
8	H	0.160
9	H	0.160

<r²>	43.594
(<r²>)^1/2	6.603

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)