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	hartrees
Energy at 0K	-322.200035
Energy at 298.15K	-322.209695
HF Energy	-322.200035
Nuclear repulsion energy	250.284918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3486	3446	10.47
2	A	3066	3031	8.82
3	A	3035	3000	1.35
4	A	3015	2980	9.42
5	A	2968	2934	154.43
6	A	2947	2913	169.46
7	A	2920	2886	223.03
8	A	1844	1823	418.79
9	A	1453	1436	108.60
10	A	1447	1430	194.88
11	A	1420	1404	29.58
12	A	1410	1394	0.82
13	A	1394	1378	23.17
14	A	1380	1365	55.85
15	A	1281	1267	5.36
16	A	1242	1227	10.06
17	A	1201	1187	54.58
18	A	1165	1152	14.05
19	A	1108	1095	0.77
20	A	1103	1091	16.82
21	A	1024	1012	80.33
22	A	982	971	6.84
23	A	932	921	9.52
24	A	880	870	26.49
25	A	753	744	39.56
26	A	659	651	9.23
27	A	547	541	4.77
28	A	511	506	1.37
29	A	372	367	8.74
30	A	366	362	30.13
31	A	218	216	1.09
32	A	150	148	0.40
33	A	89	88	5.07

Atom	x (Å)	y (Å)	z (Å)
N1	1.162	0.259	-0.295
C2	2.490	-0.089	0.157
C3	0.152	-0.722	0.023
C4	-1.206	-0.065	0.033
O5	-1.103	1.256	0.115
O6	-2.244	-0.661	-0.029
H7	1.167	0.442	-1.300
H8	0.111	-1.613	-0.628
H9	2.852	-1.057	-0.239
H10	3.197	0.696	-0.140
H11	0.330	-1.075	1.052
H12	2.496	-0.146	1.255
H13	-0.131	1.437	0.096

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4460	1.4426	2.4123	2.5083	3.5375	1.0218	2.1724	2.1429	2.0878	2.0699	2.0848	1.7922
C2	1.4460		2.4259	3.6989	3.8373	4.7723	2.0389	2.9328	1.1064	1.0979	2.5377	1.0995	3.0341
C3	1.4426	2.4259		1.5090	2.3445	2.3974	2.0329	1.1043	2.7332	3.3630	1.1028	2.7101	2.1788
C4	2.4123	3.6989	1.5090		1.3278	1.1982	2.7686	2.1373	4.1868	4.4722	2.1021	3.8998	1.8485
O5	2.5083	3.8373	2.3445	1.3278		2.2357	2.7959	3.2028	4.5956	4.3440	2.8925	4.0274	0.9890
O6	3.5375	4.7723	2.3974	1.1982	2.2357		3.8031	2.6093	5.1156	5.6090	2.8223	4.9379	2.9804
H7	1.0218	2.0389	2.0329	2.7686	2.7959	3.8031		2.4061	2.4925	2.3522	2.9212	2.9395	2.1499
H8	2.1724	2.9328	1.1043	2.1373	3.2028	2.6093	2.4061		2.8242	3.8857	1.7779	3.3749	3.1443
H9	2.1429	1.1064	2.7332	4.1868	4.5956	5.1156	2.4925	2.8242		1.7899	2.8334	1.7859	3.9029
H10	2.0878	1.0979	3.3630	4.4722	4.3440	5.6090	2.3522	3.8857	1.7899		3.5750	1.7742	3.4178
H11	2.0699	2.5377	1.1028	2.1021	2.8925	2.8223	2.9212	1.7779	2.8334	3.5750		2.3658	2.7275
H12	2.0848	1.0995	2.7101	3.8998	4.0274	4.9379	2.9395	3.3749	1.7859	1.7742	2.3658		3.2792
H13	1.7922	3.0341	2.1788	1.8485	0.9890	2.9804	2.1499	3.1443	3.9029	3.4178	2.7275	3.2792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.522	N1	C2	H10	109.555
N1	C2	H12	109.221	N1	C3	C4	109.607
N1	C3	H8	116.439	N1	C3	H11	108.075
C2	N1	C3	114.243	C2	N1	H7	110.237
C3	N1	H7	109.982	C3	C4	O5	111.316
C3	C4	O6	124.239	C4	C3	H8	108.749
C4	C3	H11	106.149	C4	O5	H13	104.918
O5	C4	O6	124.444	H8	C3	H11	107.323
H9	C2	H10	108.578	H9	C2	H12	108.111
H10	C2	H12	107.685

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: SVWN/TZVP

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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Number	Element	Mulliken
1	N	-0.470
2	C	-0.411
3	C	-0.387
4	C	0.219
5	O	-0.223
6	O	-0.275
7	H	0.272
8	H	0.219
9	H	0.172
10	H	0.189
11	H	0.203
12	H	0.193
13	H	0.297

	x	y	z	Total
	5.736	-1.244	-1.516	6.061
CHELPG
AIM
ESP

	x	y	z
x	9.049	0.307	-0.332
y	0.307	7.585	-0.227
z	-0.332	-0.227	6.465

<r²>	170.673
(<r²>)^1/2	13.064

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)