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	hartrees
Energy at 0K	-193.100608
Energy at 298.15K	-193.107627
HF Energy	-193.100608
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3908	3738	32.32
2	A	3253	3111	15.31
3	A	3237	3096	3.06
4	A	3159	3021	6.04
5	A	3148	3011	15.98
6	A	3126	2990	37.98
7	A	1523	1457	18.43
8	A	1460	1397	4.29
9	A	1427	1365	4.92
10	A	1317	1260	87.60
11	A	1245	1191	59.40
12	A	1204	1152	3.87
13	A	1200	1147	0.19
14	A	1127	1078	0.76
15	A	1077	1030	1.95
16	A	1062	1015	24.87
17	A	1001	957	11.02
18	A	941	900	26.35
19	A	848	811	9.98
20	A	829	793	7.38
21	A	772	739	4.77
22	A	418	400	14.47
23	A	412	394	13.55
24	A	328	313	114.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.017	0.480
C2	0.908	-0.740	-0.137
C3	0.882	0.773	-0.135
O4	-1.455	-0.111	-0.198
H5	-0.315	-0.026	1.566
H6	1.610	-1.250	0.511
H7	0.705	-1.233	-1.079
H8	1.564	1.305	0.518
H9	0.674	1.260	-1.080
H10	-1.905	0.730	-0.102

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4895	1.5031	1.3949	1.0888	2.2224	2.1911	2.2365	2.2133	1.9162
C2	1.4895		1.5130	2.4460	2.2150	1.0831	1.0829	2.2451	2.2231	3.1738
C3	1.5031	1.5130		2.4991	2.2279	2.2449	2.2245	1.0837	1.0837	2.7873
O4	1.3949	2.4460	2.4991		2.1015	3.3456	2.5891	3.4102	2.6811	0.9579
H5	1.0888	2.2150	2.2279	2.1015		2.5133	3.0817	2.5299	3.1038	2.4251
H6	2.2224	1.0831	2.2449	3.3456	2.5133		1.8300	2.5555	3.1157	4.0803
H7	2.1911	1.0829	2.2245	2.5891	3.0817	1.8300		3.1196	2.4929	3.4088
H8	2.2365	2.2451	1.0837	3.4102	2.5299	2.5555	3.1196		1.8302	3.5706
H9	2.2133	2.2231	1.0837	2.6811	3.1038	3.1157	2.4929	1.8302		2.8085
H10	1.9162	3.1738	2.7873	0.9579	2.4251	4.0803	3.4088	3.5706	2.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.078	C1	C2	H6	118.658
C1	C2	H7	115.919	C1	C3	C2	59.185
C1	C3	H8	118.769	C1	C3	H9	116.726
C1	O4	H10	107.608	C2	C1	C3	60.737
C2	C1	O4	115.960	C2	C1	H5	117.593
C2	C3	H8	118.747	C2	C3	H9	116.801
C3	C1	O4	119.115	C3	C1	H5	117.644
C3	C2	H6	118.771	C3	C2	H7	116.980
O4	C1	H5	115.036	H6	C2	H7	115.316
H8	C3	H9	115.219

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: wB97X-D/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	0.011
2	C	-0.261
3	C	-0.279
4	O	-0.382
5	H	0.120
6	H	0.135
7	H	0.149
8	H	0.129
9	H	0.137
10	H	0.243

	x	y	z	Total
	0.341	1.348	0.692	1.553
CHELPG
AIM
ESP

	x	y	z
x	5.566	-0.183	0.040
y	-0.183	5.362	0.000
z	0.040	0.000	4.904

<r²>	72.922
(<r²>)^1/2	8.539

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)