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	hartrees
Energy at 0K	-320.714053
Energy at 298.15K	-320.723553
HF Energy	-320.049008
Nuclear repulsion energy	240.037046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3397	3293	0.44
2	A	3213	3114	275.42
3	A	3108	3012	19.33
4	A	3086	2991	10.03
5	A	3072	2978	24.69
6	A	3042	2948	10.15
7	A	2995	2903	47.53
8	A	1804	1749	250.13
9	A	1591	1542	5.60
10	A	1571	1523	16.55
11	A	1548	1500	12.14
12	A	1513	1467	5.93
13	A	1507	1461	6.67
14	A	1430	1386	354.26
15	A	1369	1327	4.47
16	A	1310	1269	3.53
17	A	1200	1163	23.42
18	A	1181	1145	5.93
19	A	1146	1111	55.83
20	A	1098	1065	24.04
21	A	1034	1002	58.67
22	A	953	924	33.36
23	A	917	889	46.91
24	A	825	800	29.23
25	A	785	761	72.79
26	A	630	610	4.40
27	A	566	549	8.75
28	A	456	442	10.29
29	A	395	383	5.37
30	A	294	285	5.00
31	A	208	202	1.15
32	A	138	133	1.54
33	A	71	69	5.80

Atom	x (Å)	y (Å)	z (Å)
N1	1.195	0.225	-0.361
C2	2.554	-0.065	0.209
C3	0.143	-0.784	0.004
C4	-1.238	-0.062	0.026
O5	-1.104	1.306	0.111
O6	-2.319	-0.648	0.008
H7	1.252	0.308	-1.384
H8	0.086	-1.657	-0.661
H9	2.965	-1.037	-0.111
H10	3.239	0.735	-0.101
H11	0.352	-1.138	1.024
H12	2.477	-0.058	1.304
H13	-0.105	1.465	0.062

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.5025	1.5020	2.4798	2.5833	3.6391	1.0282	2.2048	2.1890	2.1233	2.1185	2.1203	1.8458
C2	1.5025		2.5239	3.7967	3.9077	4.9119	2.0908	3.0633	1.1033	1.0976	2.5822	1.0975	3.0720
C3	1.5020	2.5239		1.5591	2.4359	2.4661	2.0852	1.0993	2.8357	3.4498	1.1000	2.7679	2.2635
C4	2.4798	3.7967	1.5591		1.3766	1.2296	2.8856	2.1840	4.3175	4.5495	2.1641	3.9287	1.9015
O5	2.5833	3.9077	2.4359	1.3766		2.3028	2.9638	3.2848	4.7010	4.3859	2.9876	4.0131	1.0123
O6	3.6391	4.9119	2.4661	1.2296	2.3028		3.9505	2.6926	5.3000	5.7286	2.8991	5.0025	3.0605
H7	1.0282	2.0908	2.0852	2.8856	2.9638	3.9505		2.3963	2.5225	2.4035	2.9500	2.9762	2.2968
H8	2.2048	3.0633	1.0993	2.1840	3.2848	2.6926	2.3963		2.9963	3.9971	1.7837	3.4835	3.2106
H9	2.1890	1.1033	2.8357	4.3175	4.7010	5.3000	2.5225	2.9963		1.7929	2.8517	1.7891	3.9653
H10	2.1233	1.0976	3.4498	4.5495	4.3859	5.7286	2.4035	3.9971	1.7929		3.6211	1.7840	3.4276
H11	2.1185	2.5822	1.1000	2.1641	2.9876	2.8991	2.9500	1.7837	2.8517	3.6211		2.4003	2.8130
H12	2.1203	1.0975	2.7679	3.9287	4.0131	5.0025	2.9762	3.4835	1.7891	1.7840	2.4003		3.2451
H13	1.8458	3.0720	2.2635	1.9015	1.0123	3.0605	2.2968	3.2106	3.9653	3.4276	2.8130	3.2451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.408	N1	C2	H10	108.491
N1	C2	H12	108.263	N1	C3	C4	108.204
N1	C3	H8	115.027	N1	C3	H11	108.017
C2	N1	C3	114.295	C2	N1	H7	110.003
C3	N1	H7	109.577	C3	C4	O5	111.999
C3	C4	O6	123.913	C4	C3	H8	109.266
C4	C3	H11	107.699	C4	O5	H13	104.456
O5	C4	O6	124.055	H8	C3	H11	108.395
H9	C2	H10	109.096	H9	C2	H12	108.765
H10	C2	H12	108.724

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: QCISD/3-21G

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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All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)