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	hartrees
Energy at 0K	-193.194408
Energy at 298.15K	-193.201354
HF Energy	-193.194408
Nuclear repulsion energy	124.391537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3814	3672	26.14
2	A	3227	3107	13.29
3	A	3212	3092	2.21
4	A	3139	3021	7.20
5	A	3130	3013	15.24
6	A	3108	2992	32.46
7	A	1504	1447	13.45
8	A	1459	1404	2.35
9	A	1413	1360	8.32
10	A	1296	1247	63.06
11	A	1225	1179	68.11
12	A	1196	1151	0.19
13	A	1185	1141	8.74
14	A	1129	1087	0.95
15	A	1072	1032	1.49
16	A	1046	1006	23.00
17	A	982	945	15.39
18	A	929	894	21.57
19	A	835	804	9.89
20	A	816	786	7.07
21	A	755	727	4.95
22	A	412	396	9.48
23	A	405	390	12.28
24	A	307	296	108.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	-0.014	0.478
C2	0.909	-0.741	-0.136
C3	0.888	0.772	-0.135
O4	-1.460	-0.110	-0.196
H5	-0.314	-0.022	1.561
H6	1.606	-1.252	0.512
H7	0.711	-1.238	-1.076
H8	1.570	1.301	0.516
H9	0.684	1.262	-1.077
H10	-1.935	0.721	-0.111

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4887	1.5018	1.4003	1.0863	2.2198	2.1926	2.2347	2.2118	1.9424
C2	1.4887		1.5126	2.4521	2.2121	1.0808	1.0807	2.2431	2.2241	3.1975
C3	1.5018	1.5126		2.5085	2.2253	2.2427	2.2255	1.0815	1.0812	2.8232
O4	1.4003	2.4521	2.5085		2.0994	3.3476	2.5999	3.4177	2.6937	0.9606
H5	1.0863	2.2121	2.2253	2.0994		2.5099	3.0791	2.5290	3.0992	2.4447
H6	2.2198	1.0808	2.2427	3.3476	2.5099		1.8226	2.5531	3.1138	4.1012
H7	2.1926	1.0807	2.2255	2.5999	3.0791	1.8226		3.1168	2.5000	3.4303
H8	2.2347	2.2431	1.0815	3.4177	2.5290	2.5531	3.1168		1.8229	3.6080
H9	2.2118	2.2241	1.0812	2.6937	3.0992	3.1138	2.5000	1.8229		2.8435
H10	1.9424	3.1975	2.8232	0.9606	2.4447	4.1012	3.4303	3.6080	2.8435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.045	C1	C2	H6	118.653
C1	C2	H7	116.253	C1	C3	C2	59.190
C1	C3	H8	118.876	C1	C3	H9	116.865
C1	O4	H10	109.303	C2	C1	C3	60.765
C2	C1	O4	116.120	C2	C1	H5	117.577
C2	C3	H8	118.756	C2	C3	H9	117.100
C3	C1	O4	119.579	C3	C1	H5	117.695
C3	C2	H6	118.775	C3	C2	H7	117.254
O4	C1	H5	114.609	H6	C2	H7	114.962
H8	C3	H9	114.883

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3LYP/Def2TZVPP

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	0.079
2	C	-0.155
3	C	-0.190
4	O	-0.333
5	H	0.076
6	H	0.083
7	H	0.089
8	H	0.076
9	H	0.092
10	H	0.184

	x	y	z	Total
	0.403	1.275	0.677	1.499
CHELPG
AIM
ESP

	x	y	z
x	6.253	-0.151	-0.016
y	-0.151	5.954	0.000
z	-0.016	0.000	5.361

<r²>	73.514
(<r²>)^1/2	8.574

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)