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	hartrees
Energy at 0K	-62.476777
Energy at 298.15K	-62.486286
HF Energy	-61.608520
Nuclear repulsion energy	135.281516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3537	3358	2.89
2	A	3489	3313	283.59
3	A	3204	3042	27.82
4	A	3169	3009	5.14
5	A	3161	3001	44.68
6	A	3095	2938	20.28
7	A	3063	2908	65.79
8	A	1843	1750	308.52
9	A	1538	1460	12.35
10	A	1521	1444	18.06
11	A	1511	1435	18.00
12	A	1496	1421	15.18
13	A	1478	1403	0.05
14	A	1436	1363	403.27
15	A	1365	1296	18.97
16	A	1307	1241	4.68
17	A	1244	1181	10.73
18	A	1194	1134	19.67
19	A	1170	1111	31.72
20	A	1144	1086	20.12
21	A	1019	968	31.09
22	A	988	938	17.64
23	A	921	874	69.09
24	A	885	841	25.14
25	A	794	753	82.39
26	A	639	606	3.75
27	A	574	545	7.73
28	A	472	448	9.28
29	A	378	359	2.95
30	A	284	270	3.19
31	A	213	202	2.54
32	A	135	128	3.50
33	A	81	77	7.16

Atom	x (Å)	y (Å)	z (Å)
N1	1.209	0.296	-0.314
C2	2.558	-0.087	0.169
C3	0.183	-0.713	0.037
C4	-1.227	-0.074	0.023
O5	-1.208	1.284	0.116
O6	-2.266	-0.728	-0.032
H7	1.243	0.371	-1.337
H8	0.167	-1.607	-0.615
H9	2.875	-1.092	-0.177
H10	3.286	0.663	-0.184
H11	0.365	-1.050	1.073
H12	2.553	-0.078	1.272
H13	-0.241	1.517	0.120

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4834	1.4812	2.4869	2.6460	3.6329	1.0264	2.1906	2.1730	2.1130	2.1087	2.1125	1.9441
C2	1.4834		2.4602	3.7882	4.0080	4.8703	2.0506	2.9401	1.1090	1.1026	2.5605	1.1029	3.2261
C3	1.4812	2.4602		1.5483	2.4354	2.4493	2.0462	1.1064	2.7274	3.4015	1.1045	2.7477	2.2719
C4	2.4869	3.7882	1.5483		1.3619	1.2283	2.8552	2.1686	4.2317	4.5774	2.1422	3.9817	1.8747
O5	2.6460	4.0080	2.4354	1.3619		2.2785	2.9925	3.2845	4.7332	4.5461	2.9729	4.1640	0.9946
O6	3.6329	4.8703	2.4493	1.2283	2.2785		3.9016	2.6515	5.1558	5.7248	2.8712	5.0346	3.0272
H7	1.0264	2.0506	2.0462	2.8552	2.9925	3.9016		2.3650	2.4793	2.3630	2.9321	2.9535	2.3744
H8	2.1906	2.9401	1.1064	2.1686	3.2845	2.6515	2.3650		2.7916	3.8813	1.7881	3.4049	3.2356
H9	2.1730	1.1090	2.7274	4.2317	4.7332	5.1558	2.4793	2.7916		1.8016	2.8047	1.7970	4.0746
H10	2.1130	1.1026	3.4015	4.5774	4.5461	5.7248	2.3630	3.8813	1.8016		3.6119	1.7904	3.6410
H11	2.1087	2.5605	1.1045	2.1422	2.9729	2.8712	2.9321	1.7881	2.8047	3.6119		2.4032	2.8048
H12	2.1125	1.1029	2.7477	3.9817	4.1640	5.0346	2.9535	3.4049	1.7970	1.7904	2.4032		3.4177
H13	1.9441	3.2261	2.2719	1.8747	0.9946	3.0272	2.3744	3.2356	4.0746	3.6410	2.8048	3.4177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.117	N1	C2	H10	108.698
N1	C2	H12	108.642	N1	C3	C4	110.326
N1	C3	H8	114.911	N1	C3	H11	108.397
C2	N1	C3	112.166	C2	N1	H7	108.197
C3	N1	H7	107.991	C3	C4	O5	113.466
C3	C4	O6	123.392	C4	C3	H8	108.402
C4	C3	H11	106.509	C4	O5	H13	104.332
O5	C4	O6	123.118	H8	C3	H11	107.946
H9	C2	H10	109.094	H9	C2	H12	108.662
H10	C2	H12	108.534

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/CEP-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 CH3NHCH2COOH (Sarcosine)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)