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	hartrees
Energy at 0K	-322.884176
Energy at 298.15K	-322.893757
HF Energy	-321.882459
Nuclear repulsion energy	242.944038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3478	267.93
2	A	3520	3377	2.91
3	A	3157	3029	22.91
4	A	3116	2989	17.27
5	A	3112	2986	27.15
6	A	3059	2935	20.50
7	A	3023	2901	60.30
8	A	1901	1824	311.02
9	A	1522	1460	15.79
10	A	1502	1441	12.53
11	A	1496	1435	43.10
12	A	1483	1423	49.52
13	A	1468	1409	197.39
14	A	1457	1397	117.04
15	A	1361	1306	13.65
16	A	1299	1246	6.89
17	A	1264	1213	11.71
18	A	1201	1152	27.56
19	A	1165	1118	17.38
20	A	1144	1097	13.91
21	A	1012	971	17.38
22	A	1000	960	13.44
23	A	903	866	58.32
24	A	897	861	14.52
25	A	778	746	69.74
26	A	660	633	3.03
27	A	589	565	10.33
28	A	477	458	9.78
29	A	381	366	3.45
30	A	278	267	2.91
31	A	210	202	2.59
32	A	134	128	2.32
33	A	88	84	6.49

Atom	x (Å)	y (Å)	z (Å)
N1	1.197	0.285	-0.305
C2	2.547	-0.078	0.146
C3	0.178	-0.702	0.068
C4	-1.224	-0.074	0.023
O5	-1.210	1.270	0.118
O6	-2.238	-0.724	-0.055
H7	1.209	0.362	-1.326
H8	0.170	-1.626	-0.541
H9	2.876	-1.079	-0.203
H10	3.267	0.675	-0.217
H11	0.355	-1.003	1.118
H12	2.573	-0.072	1.250
H13	-0.257	1.501	0.127

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4681	1.4671	2.4693	2.6348	3.5891	1.0243	2.1832	2.1657	2.1075	2.0960	2.1064	1.9440
C2	1.4681		2.4507	3.7722	3.9909	4.8321	2.0368	2.9185	1.1105	1.1032	2.5699	1.1044	3.2178
C3	1.4671	2.4507		1.5364	2.4114	2.4191	2.0338	1.1073	2.7377	3.3936	1.1067	2.7439	2.2457
C4	2.4693	3.7722	1.5364		1.3472	1.2069	2.8153	2.1611	4.2270	4.5586	2.1341	3.9900	1.8504
O5	2.6348	3.9909	2.4114	1.3472		2.2495	2.9599	3.2752	4.7238	4.5281	2.9347	4.1702	0.9800
O6	3.5891	4.8321	2.4191	1.2069	2.2495		3.8307	2.6173	5.1283	5.6818	2.8595	5.0270	2.9837
H7	1.0243	2.0368	2.0338	2.8153	2.9599	3.8307		2.3765	2.4730	2.3585	2.9265	2.9469	2.3575
H8	2.1832	2.9185	1.1073	2.1611	3.2752	2.6173	2.3765		2.7811	3.8718	1.7819	3.3758	3.2260
H9	2.1657	1.1105	2.7377	4.2270	4.7238	5.1283	2.4730	2.7811		1.7976	2.8472	1.7936	4.0721
H10	2.1075	1.1032	3.3936	4.5586	4.5281	5.6818	2.3585	3.8718	1.7976		3.6160	1.7865	3.6356
H11	2.0960	2.5699	1.1067	2.1341	2.9347	2.8595	2.9265	1.7819	2.8472	3.6160		2.4089	2.7614
H12	2.1064	1.1044	2.7439	3.9900	4.1702	5.0270	2.9469	3.3758	1.7936	1.7865	2.4089		3.4274
H13	1.9440	3.2178	2.2457	1.8504	0.9800	2.9837	2.3575	3.2260	4.0721	3.6356	2.7614	3.4274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.533	N1	C2	H10	109.274
N1	C2	H12	109.112	N1	C3	C4	110.581
N1	C3	H8	115.290	N1	C3	H11	108.237
C2	N1	C3	113.218	C2	N1	H7	108.294
C3	N1	H7	108.128	C3	C4	O5	113.330
C3	C4	O6	123.279	C4	C3	H8	108.576
C4	C3	H11	106.562	C4	O5	H13	104.217
O5	C4	O6	123.363	H8	C3	H11	107.194
H9	C2	H10	108.591	H9	C2	H12	108.148
H10	C2	H12	108.039

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)