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	hartrees
Energy at 0K	-398.311334
Energy at 298.15K	-398.321342
HF Energy	-396.895864
Nuclear repulsion energy	326.843231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3822	3637	62.96
2	A	3764	3582	91.38
3	A	3630	3454	9.58
4	A	3530	3359	3.60
5	A	3173	3019	13.29
6	A	3120	2968	8.30
7	A	3057	2909	36.21
8	A	1792	1705	225.87
9	A	1656	1575	32.05
10	A	1514	1441	4.59
11	A	1435	1366	24.88
12	A	1419	1350	25.23
13	A	1400	1332	48.45
14	A	1386	1318	4.92
15	A	1321	1257	13.28
16	A	1255	1194	13.30
17	A	1194	1136	2.16
18	A	1161	1105	204.53
19	A	1147	1091	43.64
20	A	1107	1053	94.71
21	A	1043	992	47.56
22	A	1006	957	1.92
23	A	881	838	153.29
24	A	823	783	28.35
25	A	754	717	19.03
26	A	626	596	82.91
27	A	597	568	22.32
28	A	524	499	161.68
29	A	505	481	29.57
30	A	457	435	8.53
31	A	290	276	7.45
32	A	285	271	31.11
33	A	271	257	6.73
34	A	208	198	1.59
35	A	162	154	4.55
36	A	43	41	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.779	-0.535	0.014
O2	2.048	-0.345	-0.389
O3	0.403	-1.537	0.581
C4	-0.087	0.672	-0.311
C5	-1.504	0.433	0.187
O6	-2.093	-0.702	-0.399
N7	0.421	1.920	0.234
H8	2.539	-1.142	-0.150
H9	-0.120	0.755	-1.398
H10	-1.489	0.368	1.280
H11	-2.101	1.297	-0.089
H12	-1.625	-1.464	-0.048
H13	1.325	2.143	-0.157
H14	0.532	1.854	1.237

	C1	O2	O3	C4	C5	O6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3457	1.2109	1.5204	2.4850	2.9063	2.4911	1.8690	2.1135	2.7491	3.4148	2.5774	2.7390	2.6952
O2	1.3457		2.2516	2.3664	3.6814	4.1571	2.8578	0.9662	2.6324	3.9754	4.4727	3.8550	2.6014	3.1273
O3	1.2109	2.2516		2.4320	2.7696	2.8089	3.4749	2.2915	3.0733	2.7738	3.8408	2.1242	3.8653	3.4563
C4	1.5204	2.3664	2.4320		1.5204	2.4332	1.4540	3.1955	1.0911	2.1419	2.1206	2.6450	2.0455	2.0435
C5	2.4850	3.6814	2.7696	1.5204		1.4069	2.4332	4.3513	2.1289	1.0950	1.0863	1.9153	3.3238	2.6951
O6	2.9063	4.1571	2.8089	2.4332	1.4069		3.6880	4.6595	2.6488	2.0808	2.0230	0.9612	4.4545	4.0125
N7	2.4911	2.8578	3.4749	1.4540	2.4332	3.6880		3.7431	2.0772	2.6746	2.6184	3.9650	1.0098	1.0113
H8	1.8690	0.9662	2.2915	3.1955	4.3513	4.6595	3.7431		3.4966	4.5324	5.2423	4.1770	3.5024	3.8639
H9	2.1135	2.6324	3.0733	1.0911	2.1289	2.6488	2.0772	3.4966		3.0327	2.4361	3.0023	2.3574	2.9285
H10	2.7491	3.9754	2.7738	2.1419	1.0950	2.0808	2.6746	4.5324	3.0327		1.7643	2.2664	3.6244	2.5084
H11	3.4148	4.4727	3.8408	2.1206	1.0863	2.0230	2.6184	5.2423	2.4361	1.7643		2.8022	3.5303	2.9998
H12	2.5774	3.8550	2.1242	2.6450	1.9153	0.9612	3.9650	4.1770	3.0023	2.2664	2.8022		4.6614	4.1605
H13	2.7390	2.6014	3.8653	2.0455	3.3238	4.4545	1.0098	3.5024	2.3574	3.6244	3.5303	4.6614		1.6298
H14	2.6952	3.1273	3.4563	2.0435	2.6951	4.0125	1.0113	3.8639	2.9285	2.5084	2.9998	4.1605	1.6298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H8	106.730	C1	C4	C5	109.613
C1	C4	N7	113.737	C1	C4	H9	106.901
O2	C1	O3	123.364	O2	C1	C4	111.156
O3	C1	C4	125.469	C4	C5	O6	112.386
C4	C5	H10	108.874	C4	C5	H11	107.718
C4	N7	H13	110.958	C4	N7	H14	110.686
C5	C4	N7	109.759	C5	C4	H9	108.085
C5	O6	H12	106.427	O6	C5	H10	111.942
O6	C5	H11	107.772	N7	C4	H9	108.560
H10	C5	H11	107.963	H13	N7	H14	107.492

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)

using model chemistry: MP2/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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All results from a given calculation for HO2CCHNH2CH2OH (Serine)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)