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	hartrees
Energy at 0K	-320.676292
Energy at 298.15K	-320.685827
HF Energy	-320.048478
Nuclear repulsion energy	240.359371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3441	3274	1.73
2	A	3177	3022	18.87
3	A	3147	2994	9.42
4	A	3139	2986	26.24
5	A	3103	2952	268.80
6	A	3093	2943	50.95
7	A	3055	2906	72.22
8	A	1773	1687	235.55
9	A	1616	1538	5.74
10	A	1596	1518	16.93
11	A	1567	1491	13.06
12	A	1527	1452	6.13
13	A	1518	1444	4.66
14	A	1435	1365	378.88
15	A	1379	1311	5.07
16	A	1321	1256	2.42
17	A	1208	1150	19.66
18	A	1188	1130	6.84
19	A	1150	1094	62.62
20	A	1107	1053	28.25
21	A	1055	1003	72.18
22	A	978	930	44.15
23	A	932	886	21.55
24	A	832	791	34.44
25	A	795	756	65.71
26	A	634	603	5.43
27	A	570	542	6.60
28	A	460	438	8.71
29	A	400	381	6.95
30	A	300	285	5.78
31	A	210	200	1.12
32	A	143	136	1.44
33	A	68	65	5.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.192	0.217	0.366
C2	-2.543	-0.066	-0.221
C3	-0.138	-0.790	0.012
C4	1.237	-0.056	-0.026
O5	1.079	1.308	-0.107
O6	2.329	-0.634	-0.022
H7	-1.261	0.300	1.386
H8	-0.072	-1.649	0.688
H9	-2.962	-1.033	0.093
H10	-3.226	0.733	0.079
H11	-0.347	-1.160	-0.999
H12	-2.451	-0.061	-1.310
H13	0.069	1.434	-0.047

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4998	1.5004	2.4758	2.5636	3.6431	1.0262	2.2001	2.1835	2.1178	2.1147	2.1139	1.8006
C2	1.4998		2.5228	3.7854	3.8759	4.9089	2.0884	3.0721	1.0989	1.0934	2.5741	1.0930	3.0175
C3	1.5004	2.5228		1.5588	2.4276	2.4715	2.0829	1.0956	2.8359	3.4442	1.0960	2.7623	2.2339
C4	2.4758	3.7854	1.5588		1.3750	1.2352	2.8913	2.1820	4.3128	4.5336	2.1618	3.9053	1.8931
O5	2.5636	3.8759	2.4276	1.3750		2.3104	2.9530	3.2708	4.6741	4.3472	2.9858	3.9724	1.0197
O6	3.6431	4.9089	2.4715	1.2352	2.3104		3.9673	2.7016	5.3069	5.7214	2.8961	4.9832	3.0630
H7	1.0262	2.0884	2.0829	2.8913	2.9530	3.9673		2.3869	2.5182	2.4000	2.9418	2.9691	2.2603
H8	2.2001	3.0721	1.0956	2.1820	3.2708	2.7016	2.3869		3.0142	3.9993	1.7779	3.4893	3.1723
H9	2.1835	1.0989	2.8359	4.3128	4.6741	5.3069	2.5182	3.0142		1.7857	2.8370	1.7819	3.9103
H10	2.1178	1.0934	3.4442	4.5336	4.3472	5.7214	2.4000	3.9993	1.7857		3.6105	1.7773	3.3711
H11	2.1147	2.5741	1.0960	2.1618	2.9858	2.8961	2.9418	1.7779	2.8370	3.6105		2.3945	2.7936
H12	2.1139	1.0930	2.7623	3.9053	3.9724	4.9832	2.9691	3.4893	1.7819	1.7773	2.3945		3.1903
H13	1.8006	3.0175	2.2339	1.8931	1.0197	3.0630	2.2603	3.1723	3.9103	3.3711	2.7936	3.1903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.428	N1	C2	H10	108.491
N1	C2	H12	108.209	N1	C3	C4	108.040
N1	C3	H8	114.989	N1	C3	H11	108.055
C2	N1	C3	114.465	C2	N1	H7	110.121
C3	N1	H7	109.618	C3	C4	O5	111.527
C3	C4	O6	123.989	C4	C3	H8	109.339
C4	C3	H11	107.757	C4	O5	H13	103.481
O5	C4	O6	124.452	H8	C3	H11	108.434
H9	C2	H10	109.088	H9	C2	H12	108.772
H10	C2	H12	108.760

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)