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	hartrees
Energy at 0K	-323.716237
Energy at 298.15K	-323.725617
Nuclear repulsion energy	241.266818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3392	3384	0.12
2	A	3236	3228	240.00
3	A	3034	3026	30.60
4	A	2997	2990	25.74
5	A	2995	2987	19.10
6	A	2947	2940	36.12
7	A	2903	2895	91.42
8	A	1786	1782	322.83
9	A	1496	1492	11.10
10	A	1476	1472	17.76
11	A	1466	1463	14.25
12	A	1451	1448	9.96
13	A	1434	1430	5.11
14	A	1394	1390	335.91
15	A	1312	1309	3.07
16	A	1259	1256	4.44
17	A	1160	1157	22.24
18	A	1135	1133	5.48
19	A	1104	1102	47.60
20	A	1079	1076	30.74
21	A	987	984	31.35
22	A	925	923	6.51
23	A	899	897	65.49
24	A	827	825	20.44
25	A	764	762	65.06
26	A	625	624	3.19
27	A	557	556	7.01
28	A	457	456	8.75
29	A	368	367	3.21
30	A	277	276	3.74
31	A	203	202	1.91
32	A	139	139	2.11
33	A	78	77	5.99

Atom	x (Å)	y (Å)	z (Å)
N1	1.211	0.252	-0.328
C2	2.559	-0.068	0.191
C3	0.161	-0.737	0.007
C4	-1.239	-0.069	0.024
O5	-1.177	1.287	0.108
O6	-2.277	-0.692	-0.004
H7	1.259	0.353	-1.346
H8	0.124	-1.617	-0.657
H9	2.946	-1.048	-0.148
H10	3.262	0.713	-0.128
H11	0.349	-1.112	1.025
H12	2.532	-0.070	1.289
H13	-0.202	1.501	0.095

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4790	1.4812	2.4962	2.6388	3.6286	1.0242	2.1877	2.1755	2.1111	2.1064	2.1128	1.9326
C2	1.4790		2.4958	3.8012	3.9745	4.8797	2.0565	3.0072	1.1065	1.0984	2.5824	1.0988	3.1771
C3	1.4812	2.4958		1.5511	2.4284	2.4386	2.0555	1.1031	2.8063	3.4255	1.1013	2.7766	2.2687
C4	2.4962	3.8012	1.5511		1.3607	1.2112	2.8803	2.1722	4.3011	4.5706	2.1471	3.9773	1.8829
O5	2.6388	3.9745	2.4284	1.3607		2.2680	2.9866	3.2734	4.7449	4.4813	2.9873	4.1219	0.9976
O6	3.6286	4.8797	2.4386	1.2112	2.2680		3.9242	2.6548	5.2369	5.7157	2.8513	5.0185	3.0210
H7	1.0242	2.0565	2.0555	2.8803	2.9866	3.9242		2.3765	2.4993	2.3717	2.9325	2.9572	2.3510
H8	2.1877	3.0072	1.1031	2.1722	3.2734	2.6548	2.3765		2.9230	3.9440	1.7703	3.4606	3.2241
H9	2.1755	1.1065	2.8063	4.3011	4.7449	5.2369	2.4993	2.9230		1.7897	2.8502	1.7865	4.0578
H10	2.1111	1.0984	3.4255	4.5706	4.4813	5.7157	2.3717	3.9440	1.7897		3.6256	1.7758	3.5591
H11	2.1064	2.5824	1.1013	2.1471	2.9873	2.8513	2.9325	1.7703	2.8502	3.6256		2.4333	2.8278
H12	2.1128	1.0988	2.7766	3.9773	4.1219	5.0185	2.9572	3.4606	1.7865	1.7758	2.4333		3.3721
H13	1.9326	3.1771	2.2687	1.8829	0.9976	3.0210	2.3510	3.2241	4.0578	3.5591	2.8278	3.3721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.801	N1	C2	H10	109.090
N1	C2	H12	109.201	N1	C3	C4	110.792
N1	C3	H8	114.885	N1	C3	H11	108.407
C2	N1	C3	114.942	C2	N1	H7	109.124
C3	N1	H7	108.888	C3	C4	O5	112.858
C3	C4	O6	123.494	C4	C3	H8	108.674
C4	C3	H11	106.865	C4	O5	H13	104.910
O5	C4	O6	123.629	H8	C3	H11	106.852
H9	C2	H10	108.525	H9	C2	H12	108.212
H10	C2	H12	107.847

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: BLYP/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	-0.536
2	C	-0.473
3	C	-0.386
4	C	0.383
5	O	-0.449
6	O	-0.295
7	H	0.310
8	H	0.217
9	H	0.192
10	H	0.211
11	H	0.233
12	H	0.216
13	H	0.375

	x	y	z	Total
	5.332	-0.281	-0.587	5.371
CHELPG
AIM
ESP

	x	y	z
x	9.066	0.379	0.029
y	0.379	7.236	0.042
z	0.029	0.042	5.501

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)