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	hartrees
Energy at 0K	-397.167189
Energy at 298.15K	-397.177302
HF Energy	-396.533990
Nuclear repulsion energy	322.972734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3838	3590	40.40
2	A	3809	3562	68.00
3	A	3793	3547	11.10
4	A	3671	3434	4.45
5	A	3250	3040	16.58
6	A	3171	2966	9.27
7	A	3123	2920	39.84
8	A	1817	1699	240.42
9	A	1795	1678	35.78
10	A	1612	1507	3.21
11	A	1491	1394	11.47
12	A	1476	1380	15.31
13	A	1458	1364	22.11
14	A	1448	1354	42.77
15	A	1399	1308	19.14
16	A	1309	1224	13.75
17	A	1235	1155	13.39
18	A	1206	1128	169.61
19	A	1190	1113	111.45
20	A	1110	1038	41.67
21	A	1065	996	109.97
22	A	1035	968	0.31
23	A	847	792	31.18
24	A	760	711	28.59
25	A	726	679	333.11
26	A	639	598	174.38
27	A	611	571	29.19
28	A	537	502	233.03
29	A	521	487	89.72
30	A	464	434	7.89
31	A	314	294	11.56
32	A	291	272	16.50
33	A	282	264	35.29
34	A	218	204	1.47
35	A	170	159	5.34
36	A	47	44	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.780	-0.551	0.013
O2	2.085	-0.378	-0.359
O3	0.383	-1.578	0.555
C4	-0.079	0.672	-0.308
C5	-1.517	0.471	0.193
O6	-2.151	-0.681	-0.386
N7	0.473	1.929	0.221
H8	2.661	-1.137	-0.171
H9	-0.115	0.750	-1.398
H10	-1.516	0.425	1.290
H11	-2.089	1.348	-0.100
H12	-1.797	-1.515	-0.051
H13	1.345	2.210	-0.209
H14	0.560	1.951	1.230

	C1	O2	O3	C4	C5	O6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3677	1.2279	1.5285	2.5204	2.9610	2.5067	1.9788	2.1166	2.8021	3.4422	2.7526	2.8262	2.7911
O2	1.3677		2.2743	2.4057	3.7413	4.2469	2.8727	0.9713	2.6809	4.0405	4.5239	4.0570	2.6953	3.2054
O3	1.2279	2.2743		2.4542	2.8181	2.8484	3.5239	2.4314	3.0788	2.8559	3.8863	2.2638	3.9821	3.5980
C4	1.5285	2.4057	2.4542		1.5359	2.4759	1.4709	3.2862	1.0927	2.1630	2.1307	2.7935	2.0980	2.1005
C5	2.5204	3.7413	2.8181	1.5359		1.4370	2.4668	4.4915	2.1386	1.0976	1.0871	2.0213	3.3725	2.7535
O6	2.9610	4.2469	2.8484	2.4759	1.4370		3.7503	4.8386	2.6862	2.1055	2.0496	0.9666	4.5397	4.1101
N7	2.5067	2.8727	3.5239	1.4709	2.4668	3.7503		3.7862	2.0869	2.7131	2.6469	4.1341	1.0116	1.0135
H8	1.9788	0.9713	2.4314	3.2862	4.4915	4.8386	3.7862		3.5732	4.6922	5.3611	4.4760	3.5960	3.9890
H9	2.1166	2.6809	3.0788	1.0927	2.1386	2.6862	2.0869	3.5732		3.0479	2.4370	3.1264	2.3824	2.9675
H10	2.8021	4.0405	2.8559	2.1630	1.0976	2.1055	2.7131	4.6922	3.0479		1.7644	2.3749	3.6900	2.5778
H11	3.4422	4.5239	3.8863	2.1307	1.0871	2.0496	2.6469	5.3611	2.4370	1.7644		2.8786	3.5421	3.0256
H12	2.7526	4.0570	2.2638	2.7935	2.0213	0.9666	4.1341	4.4760	3.1264	2.3749	2.8786		4.8759	4.3839
H13	2.8262	2.6953	3.9821	2.0980	3.3725	4.5397	1.0116	3.5960	2.3824	3.6900	3.5421	4.8759		1.6593
H14	2.7911	3.2054	3.5980	2.1005	2.7535	4.1101	1.0135	3.9890	2.9675	2.5778	3.0256	4.3839	1.6593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H8	114.504	C1	C4	C5	110.671
C1	C4	N7	113.376	C1	C4	H9	106.515
O2	C1	O3	122.289	O2	C1	C4	112.212
O3	C1	C4	125.493	C4	C5	O6	112.741
C4	C5	H10	109.312	C4	C5	H11	107.408
C4	N7	H13	114.089	C4	N7	H14	114.186
C5	C4	N7	110.236	C5	C4	H9	107.703
C5	O6	H12	113.018	O6	C5	H10	111.647
O6	C5	H11	107.783	N7	C4	H9	108.083
H10	C5	H11	107.726	H13	N7	H14	110.041

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)

using model chemistry: CID/6-31G

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: CID/6-31G

States and conformations

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)