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	hartrees
Energy at 0K	-53.722989
Energy at 298.15K	-53.732713
Nuclear repulsion energy	112.394406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3651	11.93
2	A	3727	3613	31.84
3	A	3104	3009	36.56
4	A	3095	3001	75.12
5	A	3088	2993	3.20
6	A	3022	2930	33.12
7	A	3003	2911	52.91
8	A	2919	2830	92.91
9	A	1511	1465	2.31
10	A	1498	1452	4.85
11	A	1493	1447	3.60
12	A	1446	1402	25.89
13	A	1418	1375	33.74
14	A	1394	1351	23.53
15	A	1381	1338	5.53
16	A	1350	1309	48.25
17	A	1291	1251	48.79
18	A	1218	1180	17.84
19	A	1160	1124	18.53
20	A	1085	1051	24.77
21	A	1069	1036	26.55
22	A	1031	999	117.83
23	A	931	902	3.02
24	A	915	887	19.43
25	A	837	811	13.79
26	A	537	521	137.15
27	A	501	486	46.94
28	A	472	458	4.77
29	A	354	343	19.50
30	A	326	316	74.23
31	A	243	236	3.89
32	A	216	210	0.44
33	A	147	142	3.99

Atom	x (Å)	y (Å)	z (Å)
O1	-0.425	1.402	-0.162
H2	0.516	1.650	-0.174
O3	1.962	-0.070	-0.015
H4	2.178	-0.168	0.927
C5	0.705	-0.746	-0.250
H6	0.603	-0.800	-1.340
H7	0.726	-1.770	0.156
C8	-0.466	0.059	0.343
H9	-0.350	0.076	1.446
C10	-1.831	-0.543	-0.009
H11	-1.960	-0.588	-1.098
H12	-1.935	-1.555	0.404
H13	-2.632	0.082	0.403

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9738	2.8086	3.2298	2.4286	2.7011	3.3892	1.4359	2.0861	2.4041	2.6820	3.3677	2.6328
H2	0.9738		2.2526	2.6986	2.4044	2.7149	3.4423	1.9402	2.4198	3.2161	3.4637	4.0759	3.5644
O3	2.8086	2.2526		0.9711	1.4465	2.0336	2.1093	2.4573	2.7391	3.8224	4.1022	4.1912	4.6158
H4	3.2298	2.6986	0.9711		1.9719	2.8316	2.2956	2.7171	2.5929	4.1341	4.6266	4.3721	4.8456
C5	2.4286	2.4044	1.4465	1.9719		1.0964	1.1019	1.5390	2.1596	2.5554	2.8016	2.8372	3.4996
H6	2.7011	2.7149	2.0336	2.8316	1.0964		1.7870	2.1711	3.0724	2.7864	2.5840	3.1705	3.7794
H7	3.3892	3.4423	2.1093	2.2956	1.1019	1.7870		2.1902	2.4955	2.8406	3.1910	2.6803	3.8423
C8	1.4359	1.9402	2.4573	2.7171	1.5390	2.1711	2.1902		1.1091	1.5329	2.1749	2.1830	2.1676
H9	2.0861	2.4198	2.7391	2.5929	2.1596	3.0724	2.4955	1.1091		2.1664	3.0833	2.5015	2.5095
C10	2.4041	3.2161	3.8224	4.1341	2.5554	2.7864	2.8406	1.5329	2.1664		1.0974	1.0982	1.0960
H11	2.6820	3.4637	4.1022	4.6266	2.8016	2.5840	3.1910	2.1749	3.0833	1.0974		1.7858	1.7752
H12	3.3677	4.0759	4.1912	4.3721	2.8372	3.1705	2.6803	2.1830	2.5015	1.0982	1.7858		1.7791
H13	2.6328	3.5644	4.6158	4.8456	3.4996	3.7794	3.8423	2.1676	2.5095	1.0960	1.7752	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.394	O1	C8	H9	109.434
O1	C8	C10	108.110	H2	O1	C8	105.653
O3	C5	H6	105.374	O3	C5	H7	111.003
O3	C5	C8	110.751	H4	O3	C5	107.670
C5	C8	H9	108.180	C5	C8	C10	112.579
H6	C5	H7	108.762	H6	C5	C8	109.800
H7	C5	C8	110.979	C8	C10	H11	110.465
C8	C10	H12	111.060	C8	C10	H13	109.971
H9	C8	C10	109.111	H11	C10	H12	108.849
H11	C10	H13	108.065	H12	C10	H13	108.350

All results from a given calculation for C₃H₈O₂ (Propylene glycol)

using model chemistry: B3LYP/CEP-121G*

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	O	-0.570
2	H	0.406
3	O	-0.548
4	H	0.400
5	C	-0.235
6	H	0.165
7	H	0.141
8	C	0.203
9	H	0.107
10	C	-0.569
11	H	0.165
12	H	0.151
13	H	0.185

	x	y	z	Total
	0.465	-1.816	1.632	2.485
CHELPG
AIM
ESP

	x	y	z
x	7.310	0.235	0.139
y	0.235	6.567	-0.092
z	0.139	-0.092	6.287

<r²>	112.835
(<r²>)^1/2	10.622

All results from a given calculation for C3H8O2 (Propylene glycol)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for C₃H₈O₂ (Propylene glycol)