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	hartrees
Energy at 0K	-323.695058
Energy at 298.15K	-323.704589
Nuclear repulsion energy	244.997159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3553	3411	4.83
2	A	3507	3367	327.36
3	A	3136	3011	23.02
4	A	3098	2974	0.58
5	A	3094	2971	37.29
6	A	3048	2927	20.89
7	A	3003	2884	72.33
8	A	1896	1820	375.63
9	A	1517	1456	15.18
10	A	1494	1435	17.78
11	A	1488	1429	15.99
12	A	1470	1412	11.28
13	A	1453	1395	14.16
14	A	1429	1372	384.95
15	A	1338	1285	6.52
16	A	1286	1235	4.36
17	A	1235	1185	13.89
18	A	1186	1139	32.60
19	A	1157	1111	22.00
20	A	1134	1089	10.63
21	A	1005	965	13.83
22	A	983	944	25.43
23	A	902	866	60.17
24	A	890	854	15.67
25	A	774	743	69.82
26	A	649	624	3.27
27	A	579	556	8.87
28	A	477	458	9.80
29	A	376	361	4.72
30	A	285	273	4.88
31	A	205	197	1.86
32	A	137	132	2.45
33	A	75	72	6.06

Atom	x (Å)	y (Å)	z (Å)
N1	1.195	0.239	-0.342
C2	2.512	-0.064	0.201
C3	0.159	-0.723	-0.001
C4	-1.217	-0.062	0.024
O5	-1.155	1.267	0.107
O6	-2.241	-0.680	0.004
H7	1.255	0.330	-1.348
H8	0.108	-1.603	-0.650
H9	2.902	-1.041	-0.110
H10	3.218	0.706	-0.111
H11	0.342	-1.087	1.013
H12	2.462	-0.049	1.290
H13	-0.197	1.471	0.079

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4558	1.4549	2.4583	2.6044	3.5742	1.0127	2.1614	2.1467	2.0885	2.0793	2.0862	1.9057
C2	1.4558		2.4519	3.7329	3.9023	4.7968	2.0331	2.9784	1.0975	1.0899	2.5329	1.0910	3.1157
C3	1.4549	2.4519		1.5264	2.3875	2.4004	2.0312	1.0941	2.7642	3.3781	1.0934	2.7259	2.2243
C4	2.4583	3.7329	1.5264		1.3335	1.1966	2.8547	2.1405	4.2363	4.5029	2.1113	3.8913	1.8425
O5	2.6044	3.9023	2.3875	1.3335		2.2323	2.9680	3.2257	4.6736	4.4145	2.9331	4.0274	0.9804
O6	3.5742	4.7968	2.4004	1.1966	2.2323		3.8827	2.6068	5.1576	5.6335	2.8028	4.9172	2.9689
H7	1.0127	2.0331	2.0312	2.8547	2.9680	3.8827		2.3538	2.4753	2.3506	2.9017	2.9265	2.3342
H8	2.1614	2.9784	1.0941	2.1405	3.2257	2.6068	2.3538		2.9013	3.9106	1.7573	3.4242	3.1737
H9	2.1467	1.0975	2.7642	4.2363	4.6736	5.1576	2.4753	2.9013		1.7752	2.7968	1.7722	3.9942
H10	2.0885	1.0899	3.3781	4.5029	4.4145	5.6335	2.3506	3.9106	1.7752		3.5705	1.7615	3.5046
H11	2.0793	2.5329	1.0934	2.1113	2.9331	2.8028	2.9017	1.7573	2.7968	3.5705		2.3773	2.7758
H12	2.0862	1.0910	2.7259	3.8913	4.0274	4.9172	2.9265	3.4242	1.7722	1.7615	2.3773		3.2937
H13	1.9057	3.1157	2.2243	1.8425	0.9804	2.9689	2.3342	3.1737	3.9942	3.5046	2.7758	3.2937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.708	N1	C2	H10	109.411
N1	C2	H12	109.163	N1	C3	C4	111.071
N1	C3	H8	115.252	N1	C3	H11	108.530
C2	N1	C3	114.789	C2	N1	H7	109.593
C3	N1	H7	109.501	C3	C4	O5	113.019
C3	C4	O6	123.198	C4	C3	H8	108.413
C4	C3	H11	106.219	C4	O5	H13	104.518
O5	C4	O6	123.759	H8	C3	H11	106.901
H9	C2	H10	108.499	H9	C2	H12	108.147
H10	C2	H12	107.741

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: B1B95/6-311G**

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	-0.483
2	C	-0.228
3	C	-0.197
4	C	0.339
5	O	-0.296
6	O	-0.334
7	H	0.229
8	H	0.156
9	H	0.118
10	H	0.134
11	H	0.168
12	H	0.139
13	H	0.255

	x	y	z	Total
	5.393	-0.232	-0.578	5.429
CHELPG
AIM
ESP

	x	y	z
x	8.559	0.416	0.043
y	0.416	6.843	0.018
z	0.043	0.018	5.372

<r²>	196.972
(<r²>)^1/2	14.035

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)