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	hartrees
Energy at 0K	-322.799290
Energy at 298.15K	-322.808845
HF Energy	-321.849488
Nuclear repulsion energy	243.003451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3555	3385	219.06
2	A	3504	3337	2.65
3	A	3162	3011	22.77
4	A	3122	2973	25.76
5	A	3113	2964	15.02
6	A	3065	2919	17.34
7	A	3034	2889	54.17
8	A	1901	1811	293.65
9	A	1562	1487	9.90
10	A	1544	1470	15.36
11	A	1541	1468	18.46
12	A	1524	1452	10.28
13	A	1502	1431	6.27
14	A	1466	1396	415.52
15	A	1390	1323	12.16
16	A	1321	1258	5.25
17	A	1276	1215	8.04
18	A	1213	1155	18.78
19	A	1184	1127	27.78
20	A	1160	1104	14.70
21	A	1032	983	24.84
22	A	1006	958	9.17
23	A	911	867	78.80
24	A	900	857	15.37
25	A	776	739	89.43
26	A	659	627	4.02
27	A	585	557	12.85
28	A	478	455	10.39
29	A	385	367	2.86
30	A	282	269	2.80
31	A	212	201	2.33
32	A	133	126	2.79
33	A	84	80	7.33

Atom	x (Å)	y (Å)	z (Å)
N1	1.199	0.282	-0.308
C2	2.546	-0.078	0.151
C3	0.177	-0.701	0.062
C4	-1.218	-0.074	0.022
O5	-1.215	1.271	0.117
O6	-2.234	-0.728	-0.049
H7	1.213	0.370	-1.325
H8	0.165	-1.613	-0.553
H9	2.878	-1.070	-0.196
H10	3.257	0.675	-0.206
H11	0.356	-1.013	1.101
H12	2.562	-0.071	1.247
H13	-0.265	1.533	0.134

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4675	1.4656	2.4657	2.6433	3.5886	1.0214	2.1728	2.1577	2.0972	2.0905	2.0973	1.9763
C2	1.4675		2.4514	3.7664	3.9956	4.8288	2.0391	2.9194	1.1020	1.0951	2.5638	1.0959	3.2402
C3	1.4656	2.4514		1.5301	2.4145	2.4143	2.0360	1.0997	2.7377	3.3840	1.0990	2.7369	2.2790
C4	2.4657	3.7664	1.5301		1.3484	1.2107	2.8146	2.1475	4.2206	4.5430	2.1261	3.9738	1.8721
O5	2.6433	3.9956	2.4145	1.3484		2.2501	2.9637	3.2665	4.7249	4.5227	2.9409	4.1647	0.9855
O6	3.5886	4.8288	2.4143	1.2107	2.2501		3.8365	2.6065	5.1256	5.6700	2.8483	5.0121	3.0043
H7	1.0214	2.0391	2.0360	2.8146	2.9637	3.8365		2.3728	2.4742	2.3503	2.9209	2.9378	2.3799
H8	2.1728	2.9194	1.0997	2.1475	3.2665	2.6065	2.3728		2.7894	3.8623	1.7693	3.3710	3.2491
H9	2.1577	1.1020	2.7377	4.2206	4.7249	5.1256	2.4742	2.7894		1.7858	2.8361	1.7827	4.0940
H10	2.0972	1.0951	3.3840	4.5430	4.5227	5.6700	2.3503	3.8623	1.7858		3.6016	1.7746	3.6408
H11	2.0905	2.5638	1.0990	2.1261	2.9409	2.8483	2.9209	1.7693	2.8361	3.6016		2.4035	2.7932
H12	2.0973	1.0959	2.7369	3.9738	4.1647	5.0121	2.9378	3.3710	1.7827	1.7746	2.4035		3.4362
H13	1.9763	3.2402	2.2790	1.8721	0.9855	3.0043	2.3799	3.2491	4.0940	3.6408	2.7932	3.4362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.461	N1	C2	H10	108.985
N1	C2	H12	108.945	N1	C3	C4	110.769
N1	C3	H8	115.023	N1	C3	H11	108.355
C2	N1	C3	113.392	C2	N1	H7	108.703
C3	N1	H7	108.585	C3	C4	O5	113.879
C3	C4	O6	123.074	C4	C3	H8	108.377
C4	C3	H11	106.792	C4	O5	H13	105.612
O5	C4	O6	123.015	H8	C3	H11	107.157
H9	C2	H10	108.737	H9	C2	H12	108.408
H10	C2	H12	108.178

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: QCISD/6-31G*

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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All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)