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	hartrees
Energy at 0K	-395.139941
Energy at 298.15K	-395.150177
HF Energy	-394.503823
Nuclear repulsion energy	324.073153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3693	3476	32.62
2	A	3686	3469	68.87
3	A	3656	3441	3.97
4	A	3557	3348	1.07
5	A	3243	3053	18.30
6	A	3179	2992	6.02
7	A	3101	2919	52.49
8	A	1832	1724	187.35
9	A	1808	1702	24.43
10	A	1638	1542	0.88
11	A	1511	1422	61.14
12	A	1475	1388	0.77
13	A	1461	1375	16.72
14	A	1441	1356	49.74
15	A	1421	1337	4.78
16	A	1310	1233	14.11
17	A	1247	1173	3.69
18	A	1202	1132	122.81
19	A	1173	1105	153.12
20	A	1090	1026	37.41
21	A	1075	1012	81.82
22	A	1019	959	13.81
23	A	854	804	147.65
24	A	816	768	148.06
25	A	747	703	45.58
26	A	652	613	157.38
27	A	619	583	244.03
28	A	586	552	6.88
29	A	546	513	54.87
30	A	433	407	6.28
31	A	322	303	8.08
32	A	303	285	10.51
33	A	261	245	39.88
34	A	242	227	12.83
35	A	177	167	1.61
36	A	48	45	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.729	-0.577	0.007
O2	2.045	-0.445	-0.328
O3	0.265	-1.583	0.524
C4	-0.052	0.688	-0.324
C5	-1.482	0.529	0.193
O6	-2.121	-0.628	-0.373
N7	0.560	1.916	0.214
H8	2.565	-1.250	-0.117
H9	-0.086	0.764	-1.411
H10	-1.448	0.496	1.289
H11	-2.039	1.414	-0.097
H12	-1.706	-1.437	-0.014
H13	1.460	2.120	-0.211
H14	0.653	1.896	1.227

	C1	O2	O3	C4	C5	O6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3649	1.2217	1.5233	2.4795	2.8756	2.5078	1.9597	2.1158	2.7449	3.4121	2.5827	2.8032	2.7591
O2	1.3649		2.2779	2.3839	3.6967	4.1708	2.8417	0.9813	2.6798	3.9627	4.4941	3.8935	2.6337	3.1362
O3	1.2217	2.2779		2.4443	2.7606	2.7219	3.5249	2.4108	3.0620	2.8004	3.8314	2.0486	3.9595	3.5705
C4	1.5233	2.3839	2.4443		1.5293	2.4526	1.4739	3.2634	1.0904	2.1416	2.1281	2.7107	2.0856	2.0887
C5	2.4795	3.6967	2.7606	1.5293		1.4377	2.4692	4.4323	2.1398	1.0967	1.0860	1.9891	3.3694	2.7387
O6	2.8756	4.1708	2.7219	2.4526	1.4377		3.7424	4.7345	2.6752	2.1166	2.0629	0.9773	4.5169	4.0780
N7	2.5078	2.8417	3.5249	1.4739	2.4692	3.7424		3.7625	2.0940	2.6839	2.6655	4.0536	1.0157	1.0174
H8	1.9597	0.9813	2.4108	3.2634	4.4323	4.7345	3.7625		3.5730	4.5969	5.3202	4.2772	3.5481	3.9192
H9	2.1158	2.6798	3.0620	1.0904	2.1398	2.6752	2.0940	3.5730		3.0358	2.4419	3.0698	2.3810	2.9643
H10	2.7449	3.9627	2.8004	2.1416	1.0967	2.1166	2.6839	4.5969	3.0358		1.7649	2.3455	3.6525	2.5257
H11	3.4121	4.4941	3.8314	2.1281	1.0860	2.0629	2.6655	5.3202	2.4419	1.7649		2.8720	3.5715	3.0392
H12	2.5827	3.8935	2.0486	2.7107	1.9891	0.9773	4.0536	4.2772	3.0698	2.3455	2.8720		4.7662	4.2683
H13	2.8032	2.6337	3.9595	2.0856	3.3694	4.5169	1.0157	3.5481	2.3810	3.6525	3.5715	4.7662		1.6634
H14	2.7591	3.1362	3.5705	2.0887	2.7387	4.0780	1.0174	3.9192	2.9643	2.5257	3.0392	4.2683	1.6634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H8	112.259	C1	C4	C5	108.634
C1	C4	N7	113.579	C1	C4	H9	106.925
O2	C1	O3	123.348	O2	C1	C4	111.142
O3	C1	C4	125.500	C4	C5	O6	111.466
C4	C5	H10	108.149	C4	C5	H11	107.711
C4	N7	H13	112.495	C4	N7	H14	112.653
C5	C4	N7	110.591	C5	C4	H9	108.369
C5	O6	H12	109.426	O6	C5	H10	112.575
O6	C5	H11	108.853	N7	C4	H9	108.562
H10	C5	H11	107.914	H13	N7	H14	109.797

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)