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	hartrees
Energy at 0K	-397.795189
Energy at 298.15K	-397.805320
HF Energy	-396.709907
Nuclear repulsion energy	325.276959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3532	64.87
2	A	3683	3473	84.29
3	A	3618	3411	5.13
4	A	3513	3313	1.79
5	A	3198	3015	17.47
6	A	3126	2948	8.39
7	A	3064	2890	45.43
8	A	1817	1713	197.44
9	A	1723	1625	37.93
10	A	1567	1478	2.05
11	A	1471	1387	41.69
12	A	1440	1358	11.27
13	A	1429	1348	51.42
14	A	1414	1334	15.56
15	A	1352	1275	15.30
16	A	1276	1203	10.74
17	A	1222	1153	7.67
18	A	1194	1126	188.19
19	A	1175	1108	63.77
20	A	1119	1056	85.20
21	A	1062	1002	58.37
22	A	1027	968	1.08
23	A	934	881	202.65
24	A	831	784	17.58
25	A	749	707	32.95
26	A	653	616	109.20
27	A	590	556	5.82
28	A	568	536	234.52
29	A	524	495	19.90
30	A	449	424	7.25
31	A	310	292	12.38
32	A	300	283	23.16
33	A	276	260	23.36
34	A	227	214	2.33
35	A	178	168	3.07
36	A	33	31	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.769	-0.549	0.002
O2	2.056	-0.349	-0.364
O3	0.379	-1.570	0.549
C4	-0.083	0.676	-0.310
C5	-1.506	0.456	0.194
O6	-2.108	-0.680	-0.390
N7	0.454	1.919	0.230
H8	2.547	-1.159	-0.127
H9	-0.123	0.767	-1.402
H10	-1.489	0.397	1.294
H11	-2.098	1.330	-0.086
H12	-1.649	-1.450	-0.019
H13	1.361	2.128	-0.180
H14	0.582	1.843	1.237

	C1	O2	O3	C4	C5	O6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3527	1.2214	1.5250	2.4948	2.9072	2.4989	1.8841	2.1222	2.7685	3.4292	2.5803	2.7479	2.6991
O2	1.3527		2.2663	2.3723	3.6938	4.1773	2.8393	0.9768	2.6592	3.9841	4.4886	3.8801	2.5789	3.0891
O3	1.2214	2.2663		2.4483	2.7899	2.8038	3.5042	2.3081	3.0856	2.8134	3.8660	2.1090	3.8945	3.4879
C4	1.5250	2.3723	2.4483		1.5252	2.4380	1.4584	3.2123	1.0966	2.1512	2.1300	2.6561	2.0522	2.0496
C5	2.4948	3.6938	2.7899	1.5252		1.4125	2.4457	4.3749	2.1347	1.1012	1.0918	1.9239	3.3392	2.7147
O6	2.9072	4.1773	2.8038	2.4380	1.4125		3.7019	4.6877	2.6567	2.0925	2.0324	0.9712	4.4678	4.0313
N7	2.4989	2.8393	3.5042	1.4584	2.4457	3.7019		3.7392	2.0798	2.6877	2.6380	3.9794	1.0167	1.0179
H8	1.8841	0.9768	2.3081	3.2123	4.3749	4.6877	3.7392		3.5310	4.5535	5.2700	4.2075	3.4946	3.8388
H9	2.1222	2.6592	3.0856	1.0966	2.1347	2.6567	2.0798	3.5310		3.0450	2.4390	3.0263	2.3557	2.9365
H10	2.7685	3.9841	2.8134	2.1512	1.1012	2.0925	2.6877	4.5535	3.0450		1.7729	2.2719	3.6454	2.5268
H11	3.4292	4.4886	3.8660	2.1300	1.0918	2.0324	2.6380	5.2700	2.4390	1.7729		2.8170	3.5507	3.0323
H12	2.5803	3.8801	2.1090	2.6561	1.9239	0.9712	3.9794	4.2075	3.0263	2.2719	2.8170		4.6782	4.1715
H13	2.7479	2.5789	3.8945	2.0522	3.3392	4.4678	1.0167	3.4946	2.3557	3.6454	3.5507	4.6782		1.6416
H14	2.6991	3.0891	3.4879	2.0496	2.7147	4.0313	1.0179	3.8388	2.9365	2.5268	3.0323	4.1715	1.6416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H8	106.846	C1	C4	C5	109.756
C1	C4	N7	113.758	C1	C4	H9	106.963
O2	C1	O3	123.298	O2	C1	C4	110.908
O3	C1	C4	125.755	C4	C5	O6	112.123
C4	C5	H10	108.918	C4	C5	H11	107.811
C4	N7	H13	110.755	C4	N7	H14	110.462
C5	C4	N7	110.096	C5	C4	H9	107.906
C5	O6	H12	106.142	O6	C5	H10	112.104
O6	C5	H11	107.813	N7	C4	H9	108.145
H10	C5	H11	107.889	H13	N7	H14	107.574

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)