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	hartrees
Energy at 0K	-192.910073
Energy at 298.15K	-192.917052
HF Energy	-192.711889
Nuclear repulsion energy	123.978158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3637	24.82
2	A	3267	3129	11.10
3	A	3251	3113	2.84
4	A	3165	3031	5.05
5	A	3154	3021	12.52
6	A	3126	2994	39.21
7	A	1508	1445	18.53
8	A	1436	1375	1.97
9	A	1415	1355	4.58
10	A	1311	1256	90.94
11	A	1240	1188	40.97
12	A	1192	1142	7.23
13	A	1190	1140	0.43
14	A	1123	1075	0.62
15	A	1060	1016	2.03
16	A	1045	1001	19.33
17	A	994	952	9.79
18	A	937	898	23.20
19	A	837	802	9.25
20	A	817	783	5.08
21	A	758	726	3.51
22	A	407	390	17.95
23	A	403	386	10.70
24	A	331	317	100.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.012	0.483
C2	0.909	-0.746	-0.134
C3	0.888	0.775	-0.140
O4	-1.460	-0.112	-0.200
H5	-0.312	-0.012	1.578
H6	1.616	-1.260	0.519
H7	0.695	-1.243	-1.082
H8	1.580	1.312	0.512
H9	0.672	1.257	-1.095
H10	-1.914	0.735	-0.088

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4969	1.5099	1.4015	1.0973	2.2368	2.2001	2.2506	2.2210	1.9198
C2	1.4969		1.5212	2.4527	2.2274	1.0911	1.0911	2.2590	2.2343	3.1881
C3	1.5099	1.5212		2.5103	2.2384	2.2594	2.2357	1.0918	1.0916	2.8031
O4	1.4015	2.4527	2.5103		2.1189	3.3604	2.5885	3.4312	2.6867	0.9673
H5	1.0973	2.2274	2.2384	2.1189		2.5289	3.0992	2.5432	3.1185	2.4289
H6	2.2368	1.0911	2.2594	3.3604	2.5289		1.8463	2.5721	3.1355	4.0995
H7	2.2001	1.0911	2.2357	2.5885	3.0992	1.8463		3.1388	2.5007	3.4219
H8	2.2506	2.2590	1.0918	3.4312	2.5432	2.5721	3.1388		1.8469	3.5921
H9	2.2210	2.2343	1.0916	2.6867	3.1185	3.1355	2.5007	1.8469		2.8243
H10	1.9198	3.1881	2.8031	0.9673	2.4289	4.0995	3.4219	3.5921	2.8243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.032	C1	C2	H6	118.777
C1	C2	H7	115.565	C1	C3	C2	59.184
C1	C3	H8	118.899	C1	C3	H9	116.314
C1	O4	H10	106.843	C2	C1	C3	60.784
C2	C1	O4	115.570	C2	C1	H5	117.499
C2	C3	H8	118.735	C2	C3	H9	116.581
C3	C1	O4	119.087	C3	C1	H5	117.434
C3	C2	H6	118.823	C3	C2	H7	116.744
O4	C1	H5	115.448	H6	C2	H7	115.584
H8	C3	H9	115.528

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP/cc-pVDZ

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	0.059
2	C	-0.033
3	C	-0.059
4	O	-0.260
5	H	0.007
6	H	0.033
7	H	0.042
8	H	0.030
9	H	0.032
10	H	0.147

	x	y	z	Total
	0.219	1.276	0.657	1.451
CHELPG
AIM
ESP

	x	y	z
x	5.457	-0.208	0.097
y	-0.208	5.188	0.007
z	0.097	0.007	4.797

<r²>	73.570
(<r²>)^1/2	8.577

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)