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	hartrees
Energy at 0K	-323.396419
Energy at 298.15K	-323.405964
HF Energy	-323.095869
Nuclear repulsion energy	243.413334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3522	3343	2.16
2	A	3450	3274	276.98
3	A	3177	3016	22.20
4	A	3136	2977	23.33
5	A	3128	2969	15.90
6	A	3078	2922	19.23
7	A	3044	2890	64.35
8	A	1877	1782	302.84
9	A	1564	1484	8.62
10	A	1544	1466	17.19
11	A	1533	1455	17.52
12	A	1515	1438	10.67
13	A	1499	1423	4.06
14	A	1458	1383	408.12
15	A	1378	1308	8.11
16	A	1315	1248	5.06
17	A	1254	1190	14.12
18	A	1201	1140	16.17
19	A	1173	1114	36.40
20	A	1153	1094	16.13
21	A	1027	975	25.21
22	A	991	940	12.53
23	A	919	872	71.04
24	A	889	843	18.05
25	A	791	751	79.08
26	A	652	619	3.52
27	A	580	550	10.01
28	A	476	452	10.13
29	A	384	364	3.56
30	A	286	271	3.66
31	A	210	200	2.11
32	A	138	131	2.64
33	A	80	76	6.72

Atom	x (Å)	y (Å)	z (Å)
N1	1.196	0.271	-0.298
C2	2.543	-0.080	0.149
C3	0.170	-0.708	0.051
C4	-1.223	-0.071	0.024
O5	-1.188	1.267	0.116
O6	-2.245	-0.711	-0.045
H7	1.200	0.409	-1.305
H8	0.147	-1.612	-0.571
H9	2.894	-1.056	-0.220
H10	3.245	0.688	-0.184
H11	0.346	-1.033	1.083
H12	2.564	-0.104	1.242
H13	-0.241	1.513	0.124

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4625	1.4603	2.4645	2.6172	3.5872	1.0168	2.1725	2.1563	2.0938	2.0801	2.0933	1.9452
C2	1.4625		2.4571	3.7690	3.9679	4.8336	2.0393	2.9338	1.1001	1.0922	2.5701	1.0930	3.2078
C3	1.4603	2.4571		1.5320	2.3979	2.4167	2.0367	1.0974	2.7598	3.3849	1.0959	2.7411	2.2594
C4	2.4645	3.7690	1.5320		1.3420	1.2073	2.8055	2.1459	4.2406	4.5368	2.1237	3.9785	1.8668
O5	2.6172	3.9679	2.3979	1.3420		2.2484	2.9092	3.2472	4.7092	4.4808	2.9291	4.1506	0.9792
O6	3.5872	4.8336	2.4167	1.2073	2.2484		3.8358	2.6094	5.1537	5.6667	2.8441	5.0147	2.9985
H7	1.0168	2.0393	2.0367	2.8055	2.9092	3.8358		2.3943	2.4882	2.3483	2.9170	2.9342	2.3102
H8	2.1725	2.9338	1.0974	2.1459	3.2472	2.6094	2.3943		2.8249	3.8775	1.7631	3.3764	3.2243
H9	2.1563	1.1001	2.7598	4.2406	4.7092	5.1537	2.4882	2.8249		1.7787	2.8617	1.7753	4.0671
H10	2.0938	1.0922	3.3849	4.5368	4.4808	5.6667	2.3483	3.8775	1.7787		3.6007	1.7672	3.5947
H11	2.0801	2.5701	1.0959	2.1237	2.9291	2.8441	2.9170	1.7631	2.8617	3.6007		2.4094	2.7828
H12	2.0933	1.0930	2.7411	3.9785	4.1506	5.0147	2.9342	3.3764	1.7753	1.7672	2.4094		3.4248
H13	1.9452	3.2078	2.2594	1.8668	0.9792	2.9985	2.3102	3.2243	4.0671	3.5947	2.7828	3.4248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.833	N1	C2	H10	109.223
N1	C2	H12	109.140	N1	C3	C4	110.871
N1	C3	H8	115.563	N1	C3	H11	108.084
C2	N1	C3	114.421	C2	N1	H7	109.355
C3	N1	H7	109.302	C3	C4	O5	112.925
C3	C4	O6	123.384	C4	C3	H8	108.253
C4	C3	H11	106.649	C4	O5	H13	106.014
O5	C4	O6	123.673	H8	C3	H11	106.996
H9	C2	H10	108.453	H9	C2	H12	108.089
H10	C2	H12	107.940

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: B2PLYP/6-31G*

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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Number	Element	Mulliken
1	N	-0.667
2	C	-0.303
3	C	-0.242
4	C	0.670
5	O	-0.641
6	O	-0.504
7	H	0.339
8	H	0.189
9	H	0.152
10	H	0.174
11	H	0.200
12	H	0.174
13	H	0.459

	x	y	z
x	8.015	0.500	0.043
y	0.500	6.423	0.023
z	0.043	0.023	4.982

<r²>	194.274
(<r²>)^1/2	13.938

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)