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	hartrees
Energy at 0K	-269.159929
Energy at 298.15K	-269.170000
Nuclear repulsion energy	196.237328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3883	3686	41.59
2	A	3805	3613	150.52
3	A	3143	2984	23.82
4	A	3138	2979	38.93
5	A	3107	2949	49.10
6	A	3093	2936	4.25
7	A	3064	2909	47.08
8	A	3029	2876	59.61
9	A	1553	1474	2.40
10	A	1538	1461	1.50
11	A	1484	1409	23.75
12	A	1473	1399	40.80
13	A	1466	1392	20.08
14	A	1413	1341	1.41
15	A	1394	1324	1.48
16	A	1329	1262	17.13
17	A	1300	1234	6.66
18	A	1250	1187	6.01
19	A	1215	1153	48.52
20	A	1155	1097	25.99
21	A	1127	1070	12.78
22	A	1115	1058	130.91
23	A	985	935	2.24
24	A	932	885	0.32
25	A	927	880	12.93
26	A	842	799	9.25
27	A	550	522	118.62
28	A	508	483	2.32
29	A	389	369	4.54
30	A	338	321	14.85
31	A	280	266	78.83
32	A	217	206	3.97
33	A	102	97	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.030	1.030	-0.351
C2	1.266	0.475	0.182
C3	-1.250	0.403	0.295
H4	-0.080	0.874	-1.425
H5	-0.035	2.102	-0.168
O6	1.297	-0.926	-0.093
O7	-1.474	-0.925	-0.127
H8	2.084	-1.297	0.311
H9	-0.614	-1.358	-0.088
H10	2.112	0.970	-0.291
H11	1.321	0.650	1.256
H12	-1.147	0.461	1.382
H13	-2.138	0.964	0.024

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5075	1.5156	1.0868	1.0880	2.3777	2.4406	3.2131	2.4724	2.1442	2.1334	2.1384	2.1421
C2	1.5075		2.5203	2.1337	2.1132	1.4278	3.0930	1.9560	2.6400	1.0880	1.0899	2.6956	3.4435
C3	1.5156	2.5203		2.1330	2.1394	2.8994	1.4119	3.7432	1.9118	3.4599	2.7565	1.0935	1.0847
H4	1.0868	2.1337	2.1330		1.7578	2.6291	2.6205	3.5231	2.6568	2.4699	3.0332	3.0313	2.5188
H5	1.0880	2.1132	2.1394	1.7578		3.3094	3.3524	4.0348	3.5097	2.4308	2.4448	2.5168	2.3993
O6	2.3777	1.4278	2.8994	2.6291	3.3094		2.7715	0.9593	1.9595	2.0734	2.0744	3.1734	3.9228
O7	2.4406	3.0930	1.4119	2.6205	3.3524	2.7715		3.6045	0.9637	4.0597	3.4942	2.0747	2.0081
H8	3.2131	1.9560	3.7432	3.5231	4.0348	0.9593	3.6045		2.7284	2.3461	2.2949	3.8311	4.7986
H9	2.4724	2.6400	1.9118	2.6568	3.5097	1.9595	0.9637	2.7284		3.5911	3.0961	2.3983	2.7800
H10	2.1442	1.0880	3.4599	2.4699	2.4308	2.0734	4.0597	2.3461	3.5911		1.7663	3.6988	4.2624
H11	2.1334	1.0899	2.7565	3.0332	2.4448	2.0744	3.4942	2.2949	3.0961	1.7663		2.4790	3.6862
H12	2.1384	2.6956	1.0935	3.0313	2.5168	3.1734	2.0747	3.8311	2.3983	3.6988	2.4790		1.7554
H13	2.1421	3.4435	1.0847	2.5188	2.3993	3.9228	2.0081	4.7986	2.7800	4.2624	3.6862	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	108.173	C1	C2	H10	110.360
C1	C2	H11	109.397	C1	C3	O7	112.908
C1	C3	H12	109.012	C1	C3	H13	109.826
C2	C1	C3	112.956	C2	C1	H4	109.600
C2	C1	H5	107.917	C2	O6	H8	108.452
C3	C1	H4	108.978	C3	C1	H5	109.410
C3	O7	H9	105.616	H4	C1	H5	107.853
O6	C2	H10	110.277	O6	C2	H11	110.239
O7	C3	H12	111.173	O7	C3	H13	106.353
H10	C2	H11	108.393	H12	C3	H13	107.398

All results from a given calculation for C₃H₈O₂ (1,3-Propanediol)

using model chemistry: MP2=FULL/cc-pVTZ

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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All results from a given calculation for C3H8O2 (1,3-Propanediol)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₈O₂ (1,3-Propanediol)