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	hartrees
Energy at 0K	-191.224994
Energy at 298.15K	-191.231988
HF Energy	-190.830229
Nuclear repulsion energy	122.524657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3495	3337	1.49
2	A	3316	3166	7.50
3	A	3299	3150	1.76
4	A	3215	3069	3.39
5	A	3205	3060	7.04
6	A	3184	3040	31.22
7	A	1558	1487	4.81
8	A	1538	1469	3.78
9	A	1464	1398	3.09
10	A	1329	1269	57.41
11	A	1242	1185	0.46
12	A	1210	1155	3.92
13	A	1193	1139	4.12
14	A	1180	1126	57.08
15	A	1144	1092	4.09
16	A	1126	1075	22.72
17	A	964	920	8.75
18	A	927	885	23.85
19	A	848	810	9.99
20	A	825	788	3.45
21	A	769	734	5.80
22	A	400	382	24.81
23	A	379	362	11.00
24	A	345	329	126.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.228	-0.004	0.502
C2	0.913	-0.760	-0.138
C3	0.908	0.780	-0.149
O4	-1.486	-0.112	-0.201
H5	-0.282	0.004	1.587
H6	1.620	-1.274	0.499
H7	0.666	-1.246	-1.072
H8	1.606	1.305	0.490
H9	0.682	1.251	-1.098
H10	-1.956	0.757	-0.092

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5100	1.5258	1.4453	1.0866	2.2428	2.1953	2.2533	2.2272	1.9795
C2	1.5100		1.5396	2.4857	2.2325	1.0821	1.0821	2.2669	2.2396	3.2450
C3	1.5258	1.5396		2.5555	2.2435	2.2689	2.2393	1.0826	1.0828	2.8646
O4	1.4453	2.4857	2.5555		2.1583	3.3901	2.5845	3.4712	2.7136	0.9933
H5	1.0866	2.2325	2.2435	2.1583		2.5374	3.0876	2.5424	3.1133	2.4877
H6	2.2428	1.0821	2.2689	3.3901	2.5374		1.8384	2.5799	3.1313	4.1553
H7	2.1953	1.0821	2.2393	2.5845	3.0876	1.8384		3.1358	2.4965	3.4419
H8	2.2533	2.2669	1.0826	3.4712	2.5424	2.5799	3.1358		1.8380	3.6508
H9	2.2272	2.2396	1.0828	2.7136	3.1133	3.1313	2.4965	1.8380		2.8660
H10	1.9795	3.2450	2.8646	0.9933	2.4877	4.1553	3.4419	3.6508	2.8660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.034	C1	C2	H6	118.892
C1	C2	H7	114.750	C1	C3	C2	59.023
C1	C3	H8	118.520	C1	C3	H9	116.217
C1	O4	H10	107.067	C2	C1	C3	60.943
C2	C1	O4	114.490	C2	C1	H5	117.659
C2	C3	H8	118.615	C2	C3	H9	116.221
C3	C1	O4	118.636	C3	C1	H5	117.374
C3	C2	H6	118.828	C3	C2	H7	116.236
O4	C1	H5	116.242	H6	C2	H7	116.303
H8	C3	H9	116.159

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: MP2=FULL/3-21G

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 C3H5OH (Cyclopropanol)

using model chemistry: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)