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	hartrees
Energy at 0K	-322.770314
Energy at 298.15K	-322.779908
HF Energy	-321.842563
Nuclear repulsion energy	243.652328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3607	3386	228.30
2	A	3552	3334	3.80
3	A	3200	3004	20.10
4	A	3160	2966	23.08
5	A	3146	2953	13.83
6	A	3099	2909	14.44
7	A	3071	2883	50.14
8	A	1957	1837	323.74
9	A	1573	1476	10.87
10	A	1555	1459	18.21
11	A	1551	1456	19.68
12	A	1535	1440	13.19
13	A	1513	1420	10.84
14	A	1486	1395	435.76
15	A	1399	1313	12.83
16	A	1331	1249	4.94
17	A	1295	1215	7.93
18	A	1224	1149	20.39
19	A	1193	1120	25.63
20	A	1170	1099	13.75
21	A	1039	976	24.94
22	A	1016	954	10.01
23	A	917	861	71.10
24	A	913	857	25.19
25	A	780	732	92.63
26	A	668	627	3.88
27	A	593	557	13.44
28	A	485	455	10.92
29	A	388	364	3.01
30	A	284	266	2.98
31	A	212	199	2.28
32	A	133	125	2.82
33	A	84	79	7.47

Atom	x (Å)	y (Å)	z (Å)
N1	1.197	0.279	-0.312
C2	2.540	-0.075	0.155
C3	0.176	-0.702	0.059
C4	-1.216	-0.074	0.022
O5	-1.213	1.266	0.117
O6	-2.227	-0.724	-0.047
H7	1.215	0.365	-1.326
H8	0.161	-1.612	-0.555
H9	2.874	-1.066	-0.185
H10	3.250	0.676	-0.200
H11	0.355	-1.013	1.095
H12	2.551	-0.064	1.248
H13	-0.267	1.530	0.129

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4655	1.4637	2.4621	2.6392	3.5783	1.0184	2.1698	2.1534	2.0935	2.0878	2.0938	1.9753
C2	1.4655		2.4478	3.7592	3.9858	4.8158	2.0362	2.9197	1.0994	1.0926	2.5574	1.0934	3.2339
C3	1.4637	2.4478		1.5280	2.4088	2.4057	2.0333	1.0973	2.7334	3.3783	1.0967	2.7316	2.2760
C4	2.4621	3.7592	1.5280		1.3426	1.2040	2.8145	2.1437	4.2142	4.5342	2.1216	3.9618	1.8665
O5	2.6392	3.9858	2.4088	1.3426		2.2394	2.9643	3.2583	4.7149	4.5127	2.9335	4.1489	0.9822
O6	3.5783	4.8158	2.4057	1.2040	2.2394		3.8301	2.5979	5.1145	5.6552	2.8378	4.9943	2.9923
H7	1.0184	2.0362	2.0333	2.8145	2.9643	3.8301		2.3689	2.4704	2.3467	2.9156	2.9324	2.3813
H8	2.1698	2.9197	1.0973	2.1437	3.2583	2.5979	2.3689		2.7918	3.8598	1.7653	3.3699	3.2432
H9	2.1534	1.0994	2.7334	4.2142	4.7149	5.1145	2.4704	2.7918		1.7819	2.8265	1.7787	4.0869
H10	2.0935	1.0926	3.3783	4.5342	4.5127	5.6552	2.3467	3.8598	1.7819		3.5933	1.7704	3.6340
H11	2.0878	2.5574	1.0967	2.1216	2.9335	2.8378	2.9156	1.7653	2.8265	3.5933		2.3974	2.7901
H12	2.0938	1.0934	2.7316	3.9618	4.1489	4.9943	2.9324	3.3699	1.7787	1.7704	2.3974		3.4253
H13	1.9753	3.2339	2.2760	1.8665	0.9822	2.9923	2.3813	3.2432	4.0869	3.6340	2.7901	3.4253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.426	N1	C2	H10	108.980
N1	C2	H12	108.951	N1	C3	C4	110.757
N1	C3	H8	115.082	N1	C3	H11	108.405
C2	N1	C3	113.371	C2	N1	H7	108.787
C3	N1	H7	108.680	C3	C4	O5	113.946
C3	C4	O6	122.982	C4	C3	H8	108.370
C4	C3	H11	106.705	C4	O5	H13	105.767
O5	C4	O6	123.041	H8	C3	H11	107.144
H9	C2	H10	108.765	H9	C2	H12	108.423
H10	C2	H12	108.170

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)