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	hartrees
Energy at 0K	-398.397251
Energy at 298.15K	-398.388669
HF Energy	-396.709907
Nuclear repulsion energy	328.028891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4108	4108	69.68
2	A	4056	4056	108.20
3	A	3842	3842	6.79
4	A	3749	3749	2.22
5	A	3302	3302	31.10
6	A	3237	3237	19.19
7	A	3179	3179	59.45
8	A	2005	2005	366.80
9	A	1847	1847	41.42
10	A	1647	1647	2.48
11	A	1572	1572	38.33
12	A	1549	1549	38.01
13	A	1525	1525	62.43
14	A	1507	1507	8.48
15	A	1444	1444	14.38
16	A	1360	1360	68.47
17	A	1313	1313	167.83
18	A	1284	1284	90.55
19	A	1228	1228	17.02
20	A	1209	1209	120.01
21	A	1122	1122	40.80
22	A	1077	1077	0.38
23	A	958	958	223.75
24	A	893	893	39.62
25	A	817	817	40.69
26	A	683	683	136.33
27	A	631	631	17.96
28	A	565	565	141.54
29	A	534	534	141.98
30	A	479	479	5.50
31	A	326	326	9.68
32	A	315	315	29.38
33	A	292	292	21.25
34	A	228	228	1.40
35	A	178	178	4.01
36	A	45	45	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.803	-0.525	0.011
O2	2.058	-0.309	-0.359
O3	0.470	-1.537	0.537
C4	-0.104	0.659	-0.306
C5	-1.528	0.412	0.194
O6	-2.109	-0.720	-0.377
N7	0.394	1.917	0.219
H8	2.580	-1.070	-0.143
H9	-0.136	0.737	-1.390
H10	-1.532	0.351	1.284
H11	-2.133	1.263	-0.092
H12	-1.694	-1.491	-0.024
H13	1.273	2.161	-0.187
H14	0.509	1.885	1.212

	C1	O2	O3	C4	C5	O6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3265	1.1885	1.5245	2.5190	2.9438	2.4841	1.8656	2.1063	2.7996	3.4390	2.6772	2.7341	2.7080
O2	1.3265		2.1988	2.3699	3.7000	4.1874	2.8386	0.9480	2.6405	4.0030	4.4844	3.9480	2.5979	3.1111
O3	1.1885	2.1988		2.4212	2.8121	2.8550	3.4690	2.2660	3.0418	2.8510	3.8746	2.2356	3.8532	3.4876
C4	1.5245	2.3699	2.4212		1.5295	2.4343	1.4507	3.1974	1.0876	2.1585	2.1275	2.6885	2.0415	2.0451
C5	2.5190	3.7000	2.8121	1.5295		1.3941	2.4414	4.3808	2.1339	1.0914	1.0830	1.9221	3.3249	2.7129
O6	2.9438	4.1874	2.8550	2.4343	1.3941		3.6838	4.7078	2.6538	2.0583	2.0042	0.9437	4.4470	4.0206
N7	2.4841	2.8386	3.4690	1.4507	2.4414	3.6838		3.7194	2.0639	2.7007	2.6281	4.0034	0.9988	1.0006
H8	1.8656	0.9480	2.2660	3.1974	4.3808	4.7078	3.7194		3.4927	4.5789	5.2595	4.2961	3.4864	3.8546
H9	2.1063	2.6405	3.0418	1.0876	2.1339	2.6538	2.0639	3.4927		3.0407	2.4389	3.0425	2.3368	2.9162
H10	2.7996	4.0030	2.8510	2.1585	1.0914	2.0583	2.7007	4.5789	3.0407		1.7569	2.2646	3.6480	2.5544
H11	3.4390	4.4844	3.8746	2.1275	1.0830	2.0042	2.6281	5.2595	2.4389	1.7569		2.7901	3.5234	3.0115
H12	2.6772	3.9480	2.2356	2.6885	1.9221	0.9437	4.0034	4.2961	3.0425	2.2646	2.7901		4.7081	4.2162
H13	2.7341	2.5979	3.8532	2.0415	3.3249	4.4470	0.9988	3.4864	2.3368	3.6480	3.5234	4.7081		1.6178
H14	2.7080	3.1111	3.4876	2.0451	2.7129	4.0206	1.0006	3.8546	2.9162	2.5544	3.0115	4.2162	1.6178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H8	109.084	C1	C4	C5	111.137
C1	C4	N7	113.191	C1	C4	H9	106.276
O2	C1	O3	121.821	O2	C1	C4	112.264
O3	C1	C4	125.912	C4	C5	O6	112.665
C4	C5	H10	109.761	C4	C5	H11	107.826
C4	N7	H13	111.573	C4	N7	H14	111.769
C5	C4	N7	109.987	C5	C4	H9	108.058
C5	O6	H12	109.088	O6	C5	H10	111.230
O6	C5	H11	107.353	N7	C4	H9	107.950
H10	C5	H11	107.801	H13	N7	H14	108.022

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)