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	hartrees
Energy at 0K	-192.880290
Energy at 298.15K	-192.887285
HF Energy	-192.880290
Nuclear repulsion energy	124.587513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3798	3610	18.68
2	A	3276	3113	11.86
3	A	3259	3097	3.09
4	A	3184	3026	6.04
5	A	3173	3016	13.18
6	A	3139	2983	41.57
7	A	1539	1463	17.87
8	A	1473	1400	2.46
9	A	1444	1373	6.75
10	A	1324	1259	93.88
11	A	1263	1201	47.45
12	A	1217	1156	7.05
13	A	1209	1148	0.18
14	A	1137	1080	0.79
15	A	1079	1025	6.54
16	A	1069	1016	19.57
17	A	1013	963	8.46
18	A	957	909	24.24
19	A	856	814	11.03
20	A	833	792	5.48
21	A	772	734	2.48
22	A	413	392	24.09
23	A	407	387	10.31
24	A	332	315	111.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.014	0.479
C2	0.907	-0.739	-0.135
C3	0.884	0.770	-0.136
O4	-1.455	-0.112	-0.198
H5	-0.315	-0.020	1.568
H6	1.607	-1.253	0.516
H7	0.705	-1.237	-1.079
H8	1.568	1.306	0.516
H9	0.677	1.258	-1.085
H10	-1.907	0.737	-0.100

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4891	1.5016	1.3939	1.0919	2.2248	2.1941	2.2388	2.2142	1.9177
C2	1.4891		1.5089	2.4441	2.2156	1.0860	1.0857	2.2453	2.2225	3.1774
C3	1.5016	1.5089		2.4998	2.2278	2.2455	2.2243	1.0867	1.0864	2.7910
O4	1.3939	2.4441	2.4998		2.1041	3.3449	2.5897	3.4143	2.6848	0.9666
H5	1.0919	2.2156	2.2278	2.1041		2.5140	3.0862	2.5315	3.1070	2.4273
H6	2.2248	1.0860	2.2455	3.3449	2.5140		1.8322	2.5593	3.1195	4.0853
H7	2.1941	1.0857	2.2243	2.5897	3.0862	1.8322		3.1229	2.4947	3.4170
H8	2.2388	2.2453	1.0867	3.4143	2.5315	2.5593	3.1229		1.8325	3.5749
H9	2.2142	2.2225	1.0864	2.6848	3.1070	3.1195	2.4947	1.8325		2.8142
H10	1.9177	3.1774	2.7910	0.9666	2.4273	4.0853	3.4170	3.5749	2.8142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.112	C1	C2	H6	118.691
C1	C2	H7	116.011	C1	C3	C2	59.290
C1	C3	H8	118.888	C1	C3	H9	116.730
C1	O4	H10	107.281	C2	C1	C3	60.598
C2	C1	O4	115.902	C2	C1	H5	117.458
C2	C3	H8	118.881	C2	C3	H9	116.885
C3	C1	O4	119.344	C3	C1	H5	117.541
C3	C2	H6	118.941	C3	C2	H7	117.093
O4	C1	H5	115.115	H6	C2	H7	115.053
H8	C3	H9	114.974

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	0.077
2	C	-0.377
3	C	-0.397
4	O	-0.623
5	H	0.162
6	H	0.183
7	H	0.200
8	H	0.179
9	H	0.187
10	H	0.409

	x	y	z	Total
	0.327	1.382	0.645	1.559
CHELPG
AIM
ESP

	x	y	z
x	5.187	-0.204	0.146
y	-0.204	4.916	0.008
z	0.146	0.008	4.540

<r²>	72.741
(<r²>)^1/2	8.529

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)