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	hartrees
Energy at 0K	-61.458005
Energy at 298.15K	-61.467679
Nuclear repulsion energy	137.485171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3967	3576	177.72
2	A	3839	3461	6.81
3	A	3322	2994	64.89
4	A	3313	2986	24.52
5	A	3276	2953	67.79
6	A	3249	2928	35.59
7	A	3188	2874	90.18
8	A	1903	1716	365.46
9	A	1660	1497	17.28
10	A	1640	1478	15.70
11	A	1629	1469	9.37
12	A	1625	1465	6.55
13	A	1602	1444	2.50
14	A	1506	1358	34.94
15	A	1430	1289	296.42
16	A	1404	1265	185.83
17	A	1303	1175	40.97
18	A	1289	1162	5.97
19	A	1259	1135	20.21
20	A	1235	1114	16.22
21	A	1104	996	12.38
22	A	999	900	17.96
23	A	923	832	83.00
24	A	806	727	201.31
25	A	750	676	83.71
26	A	664	599	25.04
27	A	588	530	20.71
28	A	547	493	17.02
29	A	393	355	2.87
30	A	333	300	17.30
31	A	202	182	0.70
32	A	127	114	0.79
33	A	77	69	8.60

Atom	x (Å)	y (Å)	z (Å)
N1	-1.310	-0.028	0.557
C2	-2.116	0.122	-0.670
C3	-0.113	-0.869	0.441
C4	1.100	-0.040	-0.017
O5	0.991	1.298	0.188
O6	2.102	-0.539	-0.502
H7	-1.864	-0.234	1.367
H8	0.139	-1.286	1.413
H9	-2.496	-0.833	-1.044
H10	-2.957	0.780	-0.470
H11	-0.227	-1.698	-0.254
H12	-1.513	0.577	-1.453
H13	0.126	1.539	0.536

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4758	1.4672	2.4779	2.6815	3.6093	1.0018	2.1012	2.1487	2.1021	2.1496	2.1094	2.1263
C2	1.4758		2.4957	3.2858	3.4308	4.2730	2.0830	3.3777	1.0939	1.0865	2.6567	1.0883	2.9140
C3	1.4672	2.4957		1.5396	2.4454	2.4306	2.0792	1.0869	2.8082	3.4110	1.0880	2.7642	2.4220
C4	2.4779	3.2858	1.5396		1.3581	1.2198	3.2766	2.1259	3.8234	4.1637	2.1368	3.0450	1.9362
O5	2.6815	3.4308	2.4454	1.3581		2.2552	3.4471	2.9835	4.2683	4.0352	3.2642	3.0791	0.9628
O6	3.6093	4.2730	2.4306	1.2198	2.2552		4.3946	2.8419	4.6397	5.2282	2.6131	3.9012	3.0497
H7	1.0018	2.0830	2.0792	3.2766	3.4471	4.3946		2.2631	2.5632	2.3652	2.7298	2.9552	2.7913
H8	2.1012	3.3777	1.0869	2.1259	2.9835	2.8419	2.2631		3.6316	4.1712	1.7556	3.7969	2.9577
H9	2.1487	1.0939	2.8082	3.8234	4.2683	4.6397	2.5632	3.6316		1.7733	2.5545	1.7676	3.8734
H10	2.1021	1.0865	3.4110	4.1637	4.0352	5.2282	2.3652	4.1712	1.7733		3.6939	1.7590	3.3306
H11	2.1496	2.6567	1.0880	2.1368	3.2642	2.6131	2.7298	1.7556	2.5545	3.6939		2.8762	3.3512
H12	2.1094	1.0883	2.7642	3.0450	3.0791	3.9012	2.9552	3.7969	1.7676	1.7590	2.8762		2.7516
H13	2.1263	2.9140	2.4220	1.9362	0.9628	3.0497	2.7913	2.9577	3.8734	3.3306	3.3512	2.7516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	112.632	N1	C2	H10	109.310
N1	C2	H12	109.789	N1	C3	C4	110.974
N1	C3	H8	109.815	N1	C3	H11	113.724
C2	N1	C3	115.994	C2	N1	H7	113.040
C3	N1	H7	113.385	C3	C4	O5	114.965
C3	C4	O6	123.067	C4	C3	H8	106.809
C4	C3	H11	107.579	C4	O5	H13	111.944
O5	C4	O6	121.949	H8	C3	H11	107.649
H9	C2	H10	108.837	H9	C2	H12	108.191
H10	C2	H12	107.967

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: HF/CEP-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	-0.533
2	C	-0.324
3	C	-0.092
4	C	0.113
5	O	-0.462
6	O	-0.221
7	H	0.301
8	H	0.173
9	H	0.129
10	H	0.168
11	H	0.153
12	H	0.148
13	H	0.447

	x	y	z	Total
	-6.477	-1.094	2.046	6.880
CHELPG
AIM
ESP

	x	y	z
x	6.808	-0.690	-0.512
y	-0.690	5.594	0.172
z	-0.512	0.172	5.029

<r²>	166.653
(<r²>)^1/2	12.909

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)