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	hartrees
Energy at 0K	-193.077266
Energy at 298.15K	-193.084282
HF Energy	-193.077266
Nuclear repulsion energy	124.778800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3898	3898	37.33
2	A	3253	3253	5.85
3	A	3238	3238	1.85
4	A	3157	3157	3.83
5	A	3147	3147	7.80
6	A	3134	3134	25.36
7	A	1524	1524	20.77
8	A	1453	1453	4.58
9	A	1422	1422	5.62
10	A	1310	1310	93.49
11	A	1255	1255	42.81
12	A	1208	1208	7.76
13	A	1192	1192	0.18
14	A	1122	1122	0.89
15	A	1062	1062	4.63
16	A	1053	1053	21.26
17	A	1005	1005	10.26
18	A	954	954	27.32
19	A	853	853	11.87
20	A	830	830	6.18
21	A	766	766	3.02
22	A	415	415	20.51
23	A	410	410	6.95
24	A	330	330	115.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	-0.018	0.486
C2	0.907	-0.738	-0.140
C3	0.877	0.773	-0.136
O4	-1.451	-0.112	-0.197
H5	-0.308	-0.027	1.570
H6	1.615	-1.245	0.501
H7	0.688	-1.227	-1.079
H8	1.564	1.303	0.510
H9	0.654	1.255	-1.079
H10	-1.901	0.732	-0.109

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4880	1.5000	1.3968	1.0866	2.2205	2.1826	2.2324	2.2044	1.9208
C2	1.4880		1.5110	2.4395	2.2146	1.0813	1.0816	2.2405	2.2178	3.1690
C3	1.5000	1.5110		2.4911	2.2263	2.2412	2.2192	1.0819	1.0822	2.7786
O4	1.3968	2.4395	2.4911		2.1053	3.3418	2.5679	3.4045	2.6602	0.9604
H5	1.0866	2.2146	2.2263	2.1053		2.5153	3.0741	2.5296	3.0961	2.4353
H6	2.2205	1.0813	2.2412	3.3418	2.5153		1.8320	2.5490	3.1099	4.0793
H7	2.1826	1.0816	2.2192	2.5679	3.0741	1.8320		3.1137	2.4826	3.3880
H8	2.2324	2.2405	1.0819	3.4045	2.5296	2.5490	3.1137		1.8317	3.5660
H9	2.2044	2.2178	1.0822	2.6602	3.0961	3.1099	2.4826	1.8317		2.7823
H10	1.9208	3.1690	2.7786	0.9604	2.4353	4.0793	3.3880	3.5660	2.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.017	C1	C2	H6	118.740
C1	C2	H7	115.381	C1	C3	C2	59.231
C1	C3	H8	118.791	C1	C3	H9	116.295
C1	O4	H10	107.698	C2	C1	C3	60.753
C2	C1	O4	115.445	C2	C1	H5	117.830
C2	C3	H8	118.626	C2	C3	H9	116.598
C3	C1	O4	118.579	C3	C1	H5	117.904
C3	C2	H6	118.724	C3	C2	H7	116.762
O4	C1	H5	115.365	H6	C2	H7	115.770
H8	C3	H9	115.643

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: M06-2X/6-311G**

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	0.002
2	C	-0.298
3	C	-0.313
4	O	-0.403
5	H	0.136
6	H	0.153
7	H	0.166
8	H	0.147
9	H	0.155
10	H	0.254

	x	y	z	Total
	0.378	1.362	0.704	1.579
CHELPG
AIM
ESP

	x	y	z
x	5.558	-0.198	0.033
y	-0.198	5.320	-0.000
z	0.033	-0.000	4.821

<r²>	72.776
(<r²>)^1/2	8.531

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)