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	hartrees
Energy at 0K	-193.110564
Energy at 298.15K	-193.117560
HF Energy	-193.110564
Nuclear repulsion energy	124.560570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3695	26.33
2	A	3240	3124	10.72
3	A	3224	3109	2.43
4	A	3147	3035	6.93
5	A	3138	3026	13.74
6	A	3114	3002	32.94
7	A	1505	1452	17.53
8	A	1451	1399	3.68
9	A	1415	1364	7.13
10	A	1295	1248	53.26
11	A	1236	1192	70.77
12	A	1195	1152	4.71
13	A	1194	1152	3.42
14	A	1126	1086	0.97
15	A	1070	1032	2.81
16	A	1051	1013	27.32
17	A	995	959	12.10
18	A	939	906	25.63
19	A	843	813	11.15
20	A	824	794	8.03
21	A	764	736	4.17
22	A	415	400	13.83
23	A	409	395	11.86
24	A	325	313	117.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	-0.015	0.477
C2	0.908	-0.739	-0.135
C3	0.885	0.771	-0.136
O4	-1.459	-0.111	-0.197
H5	-0.314	-0.021	1.563
H6	1.605	-1.251	0.516
H7	0.710	-1.233	-1.078
H8	1.564	1.304	0.520
H9	0.683	1.256	-1.083
H10	-1.917	0.730	-0.100

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4864	1.5000	1.3997	1.0884	2.2182	2.1906	2.2318	2.2120	1.9266
C2	1.4864		1.5096	2.4501	2.2122	1.0830	1.0828	2.2432	2.2202	3.1844
C3	1.5000	1.5096		2.5054	2.2249	2.2430	2.2212	1.0837	1.0835	2.8025
O4	1.3997	2.4501	2.5054		2.1012	3.3464	2.5965	3.4136	2.6909	0.9623
H5	1.0884	2.2122	2.2249	2.1012		2.5084	3.0811	2.5241	3.1022	2.4282
H6	2.2182	1.0830	2.2430	3.3464	2.5084		1.8286	2.5557	3.1139	4.0876
H7	2.1906	1.0828	2.2212	2.5965	3.0811	1.8286		3.1175	2.4897	3.4222
H8	2.2318	2.2432	1.0837	3.4136	2.5241	2.5557	3.1175		1.8292	3.5814
H9	2.2120	2.2202	1.0835	2.6909	3.1022	3.1139	2.4897	1.8292		2.8283
H10	1.9266	3.1844	2.8025	0.9623	2.4282	4.0876	3.4222	3.5814	2.8283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.084	C1	C2	H6	118.542
C1	C2	H7	116.116	C1	C3	C2	59.194
C1	C3	H8	118.607	C1	C3	H9	116.872
C1	O4	H10	107.872	C2	C1	C3	60.723
C2	C1	O4	116.159	C2	C1	H5	117.613
C2	C3	H8	118.857	C2	C3	H9	116.834
C3	C1	O4	119.497	C3	C1	H5	117.653
C3	C2	H6	118.885	C3	C2	H7	116.967
O4	C1	H5	114.663	H6	C2	H7	115.204
H8	C3	H9	115.140

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3PW91/TZVP

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	-0.072
2	C	-0.264
3	C	-0.312
4	O	-0.339
5	H	0.131
6	H	0.147
7	H	0.152
8	H	0.138
9	H	0.152
10	H	0.265

	x	y	z	Total
	0.426	1.366	0.700	1.593
CHELPG
AIM
ESP

	x	y	z
x	6.006	-0.145	0.021
y	-0.145	5.731	-0.002
z	0.021	-0.002	5.201

<r²>	73.147
(<r²>)^1/2	8.553

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)