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	hartrees
Energy at 0K	-322.208615
Energy at 298.15K	-322.218262
Nuclear repulsion energy	250.598487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3483	3449	9.79
2	A	3059	3029	10.37
3	A	3027	2997	1.10
4	A	3005	2976	7.73
5	A	3004	2975	402.52
6	A	2947	2919	17.74
7	A	2917	2888	84.74
8	A	1850	1832	388.52
9	A	1452	1438	257.99
10	A	1442	1428	66.87
11	A	1417	1403	13.34
12	A	1403	1389	1.97
13	A	1387	1373	23.14
14	A	1374	1361	39.86
15	A	1278	1265	6.74
16	A	1237	1225	9.71
17	A	1208	1196	48.85
18	A	1164	1153	12.15
19	A	1105	1094	0.40
20	A	1099	1088	15.06
21	A	1002	993	67.52
22	A	980	971	9.41
23	A	932	923	7.71
24	A	881	872	25.18
25	A	751	744	35.93
26	A	655	649	8.48
27	A	551	546	3.93
28	A	509	504	1.25
29	A	370	366	13.06
30	A	364	360	23.27
31	A	217	215	0.90
32	A	144	143	0.48
33	A	90	90	4.32

Atom	x (Å)	y (Å)	z (Å)
N1	1.262	-0.082	-0.558
C2	2.029	0.145	0.643
C3	0.090	-0.893	-0.341
C4	-1.090	-0.007	0.019
O5	-0.834	1.268	-0.239
O6	-2.125	-0.427	0.461
H7	1.844	-0.434	-1.317
H8	-0.184	-1.429	-1.263
H9	2.382	-0.790	1.117
H10	2.896	0.783	0.427
H11	0.212	-1.652	0.453
H12	1.400	0.676	1.375
H13	0.119	1.220	-0.592

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4429	1.4418	2.4229	2.5134	3.5537	1.0191	2.0981	2.1356	2.0941	2.1427	2.0808	1.7323
C2	1.4429		2.4094	3.1840	3.1990	4.1968	2.0523	3.3174	1.1063	1.0978	2.5628	1.1012	2.5152
C3	1.4418	2.4094		1.5188	2.3524	2.4013	2.0586	1.1006	2.7183	3.3570	1.1053	2.6691	2.1275
C4	2.4229	3.1840	1.5188		1.3258	1.2011	3.2517	2.1179	3.7243	4.0834	2.1419	2.9163	1.8275
O5	2.5134	3.1990	2.3524	1.3258		2.2423	3.3512	2.9569	4.0515	3.8195	3.1777	2.8189	1.0176
O6	3.5537	4.1968	2.4013	1.2011	2.2423		4.3486	2.7825	4.5687	5.1644	2.6384	3.8051	2.9757
H7	1.0191	2.0523	2.0586	3.2517	3.3512	4.3486		2.2589	2.5179	2.3723	2.6978	2.9456	2.4971
H8	2.0981	3.3174	1.1006	2.1179	2.9569	2.7825	2.2589		3.5572	4.1507	1.7748	3.7279	2.7486
H9	2.1356	1.1063	2.7183	3.7243	4.0515	4.5687	2.5179	3.5572		1.7929	2.4276	1.7831	3.4754
H10	2.0941	1.0978	3.3570	4.0834	3.8195	5.1644	2.3723	4.1507	1.7929		3.6239	1.7741	2.9896
H11	2.1427	2.5628	1.1053	2.1419	3.1777	2.6384	2.6978	1.7748	2.4276	3.6239		2.7718	3.0571
H12	2.0808	1.1012	2.6691	2.9163	2.8189	3.8051	2.9456	3.7279	1.7831	1.7741	2.7718		2.4095
H13	1.7323	2.5152	2.1275	1.8275	1.0176	2.9757	2.4971	2.7486	3.4754	2.9896	3.0571	2.4095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.152	N1	C2	H10	110.286
N1	C2	H12	109.017	N1	C3	C4	109.817
N1	C3	H8	110.504	N1	C3	H11	113.883
C2	N1	C3	113.283	C2	N1	H7	111.785
C3	N1	H7	112.407	C3	C4	O5	111.397
C3	C4	O6	123.565	C4	C3	H8	106.822
C4	C3	H11	108.395	C4	O5	H13	101.687
O5	C4	O6	125.027	H8	C3	H11	107.141
H9	C2	H10	108.874	H9	C2	H12	107.759
H10	C2	H12	107.573

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: SVWN/cc-pVTZ

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	-0.202
2	C	-0.272
3	C	-0.227
4	C	0.194
5	O	-0.195
6	O	-0.253
7	H	0.142
8	H	0.142
9	H	0.104
10	H	0.125
11	H	0.112
12	H	0.133
13	H	0.197

	x	y	z	Total
	5.447	-1.114	-1.436	5.742
CHELPG
AIM
ESP

	x	y	z
x	9.095	0.301	-0.243
y	0.301	7.540	-0.173
z	-0.243	-0.173	6.529

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: SVWN/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)