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	hartrees
Energy at 0K	-191.939859
Energy at 298.15K	-191.946816
HF Energy	-191.939859
Nuclear repulsion energy	123.615389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3531	3379	0.91
2	A	3311	3167	6.57
3	A	3292	3150	1.90
4	A	3210	3071	3.49
5	A	3199	3061	7.68
6	A	3167	3029	35.01
7	A	1520	1454	9.13
8	A	1490	1425	8.04
9	A	1444	1381	2.07
10	A	1306	1249	58.87
11	A	1214	1161	0.61
12	A	1201	1149	59.10
13	A	1190	1139	12.25
14	A	1156	1106	0.51
15	A	1103	1055	5.90
16	A	1076	1029	39.08
17	A	985	942	10.90
18	A	926	886	24.41
19	A	843	807	9.24
20	A	817	782	4.52
21	A	774	741	4.45
22	A	395	378	28.70
23	A	369	353	14.89
24	A	343	328	122.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	-0.002	0.497
C2	0.902	-0.752	-0.136
C3	0.900	0.771	-0.148
O4	-1.467	-0.111	-0.199
H5	-0.279	0.004	1.581
H6	1.606	-1.268	0.500
H7	0.652	-1.235	-1.069
H8	1.598	1.293	0.491
H9	0.675	1.240	-1.096
H10	-1.948	0.749	-0.093

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4979	1.5130	1.4242	1.0854	2.2294	2.1797	2.2398	2.2129	1.9656
C2	1.4979		1.5230	2.4556	2.2174	1.0802	1.0803	2.2494	2.2222	3.2209
C3	1.5130	1.5230		2.5268	2.2293	2.2533	2.2219	1.0809	1.0808	2.8482
O4	1.4242	2.4556	2.5268		2.1430	3.3574	2.5523	3.4414	2.6870	0.9900
H5	1.0854	2.2174	2.2293	2.1430		2.5177	3.0705	2.5248	3.0991	2.4780
H6	2.2294	1.0802	2.2533	3.3574	2.5177		1.8372	2.5613	3.1150	4.1285
H7	2.1797	1.0803	2.2219	2.5523	3.0705	1.8372		3.1184	2.4754	3.4126
H8	2.2398	2.2494	1.0809	3.4414	2.5248	2.5613	3.1184		1.8364	3.6344
H9	2.2129	2.2222	1.0808	2.6870	3.0991	3.1150	2.4754	1.8364		2.8507
H10	1.9656	3.2209	2.8482	0.9900	2.4780	4.1285	3.4126	3.6344	2.8507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.103	C1	C2	H6	118.813
C1	C2	H7	114.461	C1	C3	C2	59.125
C1	C3	H8	118.473	C1	C3	H9	116.115
C1	O4	H10	107.653	C2	C1	C3	60.771
C2	C1	O4	114.331	C2	C1	H5	117.373
C2	C3	H8	118.519	C2	C3	H9	116.140
C3	C1	O4	118.665	C3	C1	H5	117.222
C3	C2	H6	118.912	C3	C2	H7	116.146
O4	C1	H5	116.631	H6	C2	H7	116.494
H8	C3	H9	116.320

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B1B95/3-21G

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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Number	Element	Mulliken
1	C	-0.027
2	C	-0.438
3	C	-0.463
4	O	-0.558
5	H	0.209
6	H	0.223
7	H	0.250
8	H	0.220
9	H	0.235
10	H	0.350

	x	y	z	Total
	0.364	1.491	0.722	1.696
CHELPG
AIM
ESP

	x	y	z
x	4.912	-0.281	0.195
y	-0.281	4.569	0.021
z	0.195	0.021	4.155

<r²>	73.564
(<r²>)^1/2	8.577

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)