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	hartrees
Energy at 0K	-193.081295
Energy at 298.15K	-193.088142
HF Energy	-193.081295
Nuclear repulsion energy	123.116619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3659	3645	11.12
2	A	3143	3131	21.21
3	A	3127	3115	3.19
4	A	3055	3043	10.60
5	A	3045	3033	19.02
6	A	3005	2993	46.96
7	A	1456	1450	10.91
8	A	1416	1411	2.56
9	A	1370	1365	3.79
10	A	1265	1260	65.06
11	A	1175	1170	48.83
12	A	1160	1156	0.70
13	A	1142	1137	15.64
14	A	1082	1078	1.49
15	A	1027	1023	3.14
16	A	1003	999	24.54
17	A	938	935	20.10
18	A	887	884	19.54
19	A	806	803	8.92
20	A	788	785	5.50
21	A	730	727	4.86
22	A	396	394	7.41
23	A	391	389	19.80
24	A	316	315	102.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	-0.007	0.487
C2	0.912	-0.753	-0.133
C3	0.903	0.777	-0.142
O4	-1.476	-0.110	-0.203
H5	-0.317	-0.005	1.580
H6	1.612	-1.274	0.520
H7	0.700	-1.252	-1.078
H8	1.595	1.312	0.509
H9	0.696	1.259	-1.097
H10	-1.942	0.736	-0.081

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5044	1.5202	1.4211	1.0960	2.2429	2.2081	2.2584	2.2324	1.9439
C2	1.5044		1.5305	2.4747	2.2368	1.0895	1.0892	2.2678	2.2423	3.2200
C3	1.5202	1.5305		2.5396	2.2503	2.2692	2.2433	1.0903	1.0897	2.8457
O4	1.4211	2.4747	2.5396		2.1289	3.3791	2.6088	3.4584	2.7188	0.9734
H5	1.0960	2.2368	2.2503	2.1289		2.5412	3.1065	2.5569	3.1287	2.4387
H6	2.2429	1.0895	2.2692	3.3791	2.5412		1.8396	2.5862	3.1421	4.1276
H7	2.2081	1.0892	2.2433	2.6088	3.1065	1.8396		3.1448	2.5112	3.4534
H8	2.2584	2.2678	1.0903	3.4584	2.5569	2.5862	3.1448		1.8411	3.6318
H9	2.2324	2.2423	1.0897	2.7188	3.1287	3.1421	2.5112	1.8411		2.8748
H10	1.9439	3.2200	2.8457	0.9734	2.4387	4.1276	3.4534	3.6318	2.8748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.115	C1	C2	H6	118.822
C1	C2	H7	115.795	C1	C3	C2	59.090
C1	C3	H8	118.863	C1	C3	H9	116.629
C1	O4	H10	107.062	C2	C1	C3	60.795
C2	C1	O4	115.513	C2	C1	H5	117.821
C2	C3	H8	118.877	C2	C3	H9	116.691
C3	C1	O4	119.370	C3	C1	H5	117.749
C3	C2	H6	119.058	C3	C2	H7	116.808
O4	C1	H5	114.905	H6	C2	H7	115.205
H8	C3	H9	115.241

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: BLYP/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	0.018
2	C	-0.223
3	C	-0.236
4	O	-0.357
5	H	0.104
6	H	0.116
7	H	0.126
8	H	0.108
9	H	0.115
10	H	0.228

	x	y	z	Total
	0.284	1.267	0.696	1.473
CHELPG
AIM
ESP

	x	y	z
x	5.988	-0.206	0.057
y	-0.206	5.597	0.005
z	0.057	0.005	5.157

<r²>	74.663
(<r²>)^1/2	8.641

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)