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	hartrees
Energy at 0K	-192.820800
Energy at 298.15K	-192.827826
HF Energy	-192.820800
Nuclear repulsion energy	123.659020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3526	6.02
2	A	3298	3152	11.82
3	A	3279	3135	3.04
4	A	3199	3058	5.59
5	A	3187	3046	11.15
6	A	3174	3034	31.83
7	A	1536	1468	11.97
8	A	1498	1432	6.39
9	A	1451	1387	3.73
10	A	1310	1252	32.92
11	A	1245	1190	81.09
12	A	1224	1170	0.42
13	A	1202	1149	16.35
14	A	1162	1111	0.75
15	A	1120	1071	4.35
16	A	1098	1050	35.07
17	A	1006	961	11.41
18	A	964	921	30.39
19	A	865	827	12.19
20	A	840	803	7.89
21	A	785	750	5.96
22	A	409	391	9.23
23	A	405	388	24.84
24	A	331	316	162.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.230	-0.006	0.488
C2	0.908	-0.747	-0.134
C3	0.899	0.771	-0.142
O4	-1.468	-0.107	-0.202
H5	-0.312	-0.007	1.573
H6	1.606	-1.270	0.510
H7	0.690	-1.247	-1.070
H8	1.589	1.307	0.502
H9	0.693	1.257	-1.090
H10	-1.983	0.712	-0.085

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4934	1.5091	1.4212	1.0879	2.2286	2.1944	2.2432	2.2219	1.9798
C2	1.4934		1.5181	2.4614	2.2251	1.0841	1.0839	2.2550	2.2303	3.2386
C3	1.5091	1.5181		2.5259	2.2395	2.2560	2.2315	1.0847	1.0846	2.8838
O4	1.4212	2.4614	2.5259		2.1205	3.3626	2.5903	3.4408	2.7052	0.9747
H5	1.0879	2.2251	2.2395	2.1205		2.5309	3.0873	2.5471	3.1140	2.4615
H6	2.2286	1.0841	2.2560	3.3626	2.5309		1.8269	2.5765	3.1266	4.1428
H7	2.1944	1.0839	2.2315	2.5903	3.0873	1.8269		3.1309	2.5040	3.4573
H8	2.2432	2.2550	1.0847	3.4408	2.5471	2.5765	3.1309		1.8270	3.6686
H9	2.2219	2.2303	1.0846	2.7052	3.1140	3.1266	2.5040	1.8270		2.9097
H10	1.9798	3.2386	2.8838	0.9747	2.4615	4.1428	3.4573	3.6686	2.9097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.139	C1	C2	H6	118.823
C1	C2	H7	115.827	C1	C3	C2	59.118
C1	C3	H8	118.818	C1	C3	H9	116.946
C1	O4	H10	110.049	C2	C1	C3	60.744
C2	C1	O4	115.220	C2	C1	H5	118.244
C2	C3	H8	119.143	C2	C3	H9	116.963
C3	C1	O4	119.055	C3	C1	H5	118.263
C3	C2	H6	119.277	C3	C2	H7	117.118
O4	C1	H5	114.719	H6	C2	H7	114.845
H8	C3	H9	114.744

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBE1PBE/6-31G

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	0.037
2	C	-0.342
3	C	-0.365
4	O	-0.616
5	H	0.170
6	H	0.179
7	H	0.202
8	H	0.174
9	H	0.187
10	H	0.374

	x	y	z	Total
	0.487	1.573	0.867	1.861
CHELPG
AIM
ESP

	x	y	z
x	5.179	-0.240	0.186
y	-0.240	4.800	0.036
z	0.186	0.036	4.385

<r²>	73.833
(<r²>)^1/2	8.593

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)