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	hartrees
Energy at 0K	-323.640466
Energy at 298.15K	-323.649862
HF Energy	-323.640466
Nuclear repulsion energy	242.917082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3459	3409	1.42
2	A	3302	3255	346.93
3	A	3063	3019	30.00
4	A	3028	2985	8.15
5	A	3022	2978	37.43
6	A	2977	2934	31.87
7	A	2926	2884	93.03
8	A	1815	1790	344.82
9	A	1491	1470	11.35
10	A	1470	1449	17.30
11	A	1463	1442	12.95
12	A	1447	1426	13.42
13	A	1429	1409	6.68
14	A	1400	1380	326.14
15	A	1312	1293	4.03
16	A	1261	1243	4.41
17	A	1178	1161	28.90
18	A	1142	1126	9.93
19	A	1118	1102	45.00
20	A	1102	1086	24.25
21	A	989	974	24.92
22	A	939	925	15.97
23	A	905	892	50.26
24	A	844	832	18.99
25	A	769	758	59.60
26	A	630	621	3.19
27	A	561	553	7.16
28	A	465	459	8.75
29	A	370	364	4.33
30	A	281	277	5.75
31	A	201	198	2.11
32	A	133	131	2.36
33	A	61	60	5.71

Atom	x (Å)	y (Å)	z (Å)
N1	1.204	0.238	-0.346
C2	2.529	-0.064	0.212
C3	0.156	-0.738	-0.014
C4	-1.229	-0.063	0.024
O5	-1.151	1.283	0.105
O6	-2.267	-0.677	0.016
H7	1.274	0.319	-1.359
H8	0.104	-1.610	-0.683
H9	2.923	-1.050	-0.090
H10	3.238	0.708	-0.107
H11	0.343	-1.121	0.998
H12	2.470	-0.037	1.306
H13	-0.177	1.464	0.066

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4691	1.4699	2.4792	2.6157	3.6081	1.0178	2.1759	2.1627	2.1016	2.0964	2.0998	1.8920
C2	1.4691		2.4771	3.7627	3.9201	4.8396	2.0461	3.0116	1.1038	1.0956	2.5524	1.0963	3.1106
C3	1.4699	2.4771		1.5418	2.4103	2.4249	2.0436	1.0995	2.7847	3.4058	1.0982	2.7546	2.2288
C4	2.4792	3.7627	1.5418		1.3504	1.2065	2.8851	2.1611	4.2688	4.5351	2.1309	3.9150	1.8546
O5	2.6157	3.9201	2.4103	1.3504		2.2573	2.9919	3.2502	4.6982	4.4317	2.9681	4.0369	0.9916
O6	3.6081	4.8396	2.4249	1.2065	2.2573		3.9274	2.6427	5.2046	5.6786	2.8247	4.9517	2.9927
H7	1.0178	2.0461	2.0436	2.8851	2.9919	3.9274		2.3550	2.4903	2.3608	2.9148	2.9423	2.3333
H8	2.1759	3.0116	1.0995	2.1611	3.2502	2.6427	2.3550		2.9339	3.9401	1.7669	3.4678	3.1759
H9	2.1627	1.1038	2.7847	4.2688	4.6982	5.2046	2.4903	2.9339		1.7863	2.8003	1.7829	3.9935
H10	2.1016	1.0956	3.4058	4.5351	4.4317	5.6786	2.3608	3.9401	1.7863		3.5986	1.7729	3.5018
H11	2.0964	2.5524	1.0982	2.1309	2.9681	2.8247	2.9148	1.7669	2.8003	3.5986		2.4069	2.7966
H12	2.0998	1.0963	2.7546	3.9150	4.0369	4.9517	2.9423	3.4678	1.7829	1.7729	2.4069		3.2857
H13	1.8920	3.1106	2.2288	1.8546	0.9916	2.9927	2.3333	3.1759	3.9935	3.5018	2.7966	3.2857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.645	N1	C2	H10	109.193
N1	C2	H12	109.007	N1	C3	C4	110.786
N1	C3	H8	114.980	N1	C3	H11	108.575
C2	N1	C3	114.885	C2	N1	H7	109.381
C3	N1	H7	109.113	C3	C4	O5	112.724
C3	C4	O6	123.379	C4	C3	H8	108.649
C4	C3	H11	106.426	C4	O5	H13	103.662
O5	C4	O6	123.873	H8	C3	H11	107.021
H9	C2	H10	108.617	H9	C2	H12	108.263
H10	C2	H12	107.967

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: B97D3/6-311G**

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	-0.456
2	C	-0.192
3	C	-0.152
4	C	0.312
5	O	-0.284
6	O	-0.322
7	H	0.218
8	H	0.137
9	H	0.104
10	H	0.121
11	H	0.149
12	H	0.126
13	H	0.238

	x	y	z	Total
	5.328	-0.294	-0.612	5.371
CHELPG
AIM
ESP

	x	y	z
x	9.048	0.374	0.026
y	0.374	7.164	0.030
z	0.026	0.030	5.527

<r²>	194.508
(<r²>)^1/2	13.947

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)