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	hartrees
Energy at 0K	-323.628377
Energy at 298.15K	-323.637855
Nuclear repulsion energy	244.485963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3570	3415	6.72
2	A	3483	3332	347.23
3	A	3155	3018	19.01
4	A	3119	2983	2.34
5	A	3112	2977	29.62
6	A	3066	2933	17.02
7	A	3017	2886	76.21
8	A	1882	1801	415.05
9	A	1518	1453	16.05
10	A	1498	1433	16.41
11	A	1488	1423	18.28
12	A	1471	1407	7.14
13	A	1453	1390	2.55
14	A	1421	1359	409.37
15	A	1342	1284	12.36
16	A	1289	1233	3.47
17	A	1235	1182	10.60
18	A	1190	1138	37.36
19	A	1160	1109	20.45
20	A	1137	1088	11.02
21	A	1008	964	15.87
22	A	980	938	30.12
23	A	907	868	62.69
24	A	889	850	17.31
25	A	778	744	72.29
26	A	638	610	3.90
27	A	574	549	8.87
28	A	480	459	9.58
29	A	372	356	4.76
30	A	291	278	7.26
31	A	205	196	1.96
32	A	134	128	3.13
33	A	61	59	5.98

Atom	x (Å)	y (Å)	z (Å)
N1	-1.203	0.225	0.364
C2	-2.500	-0.058	-0.238
C3	-0.154	-0.735	0.045
C4	1.213	-0.057	-0.024
O5	1.143	1.274	-0.098
O6	2.250	-0.671	-0.042
H7	-1.303	0.305	1.370
H8	-0.083	-1.585	0.732
H9	-2.909	-1.040	0.037
H10	-3.213	0.711	0.062
H11	-0.343	-1.148	-0.951
H12	-2.407	-0.019	-1.326
H13	0.181	1.480	-0.044

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4574	1.4564	2.4629	2.6109	3.5901	1.0142	2.1597	2.1485	2.0899	2.0860	2.0888	1.9128
C2	1.4574		2.4574	3.7188	3.8811	4.7933	2.0372	3.0187	1.0988	1.0913	2.5195	1.0925	3.0973
C3	1.4564	2.4574		1.5276	2.3955	2.4070	2.0382	1.0953	2.7713	3.3832	1.0947	2.7321	2.2422
C4	2.4629	3.7188	1.5276		1.3348	1.2052	2.8987	2.1416	4.2377	4.4928	2.1139	3.8465	1.8515
O5	2.6109	3.8811	2.3955	1.3348		2.2383	3.0124	3.2197	4.6679	4.3950	2.9664	3.9721	0.9849
O6	3.5901	4.7933	2.4070	1.2052	2.2383		3.9453	2.6228	5.1728	5.6361	2.7890	4.8743	2.9843
H7	1.0142	2.0372	2.0382	2.8987	3.0124	3.9453		2.3381	2.4828	2.3500	2.9013	2.9309	2.3624
H8	2.1597	3.0187	1.0953	2.1416	3.2197	2.6228	2.3381		2.9604	3.9391	1.7579	3.4763	3.1730
H9	2.1485	1.0988	2.7713	4.2377	4.6679	5.1728	2.4828	2.9604		1.7777	2.7517	1.7756	3.9885
H10	2.0899	1.0913	3.3832	4.4928	4.3950	5.6361	2.3500	3.9391	1.7777		3.5666	1.7640	3.4820
H11	2.0860	2.5195	1.0947	2.1139	2.9664	2.7890	2.9013	1.7579	2.7517	3.5666		2.3819	2.8295
H12	2.0888	1.0925	2.7321	3.8465	3.9721	4.8743	2.9309	3.4763	1.7756	1.7640	2.3819		3.2543
H13	1.9128	3.0973	2.2422	1.8515	0.9849	2.9843	2.3624	3.1730	3.9885	3.4820	2.8295	3.2543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.649	N1	C2	H10	109.324
N1	C2	H12	109.164	N1	C3	C4	111.227
N1	C3	H8	114.906	N1	C3	H11	108.883
C2	N1	C3	114.993	C2	N1	H7	109.723
C3	N1	H7	109.876	C3	C4	O5	113.450
C3	C4	O6	123.033	C4	C3	H8	108.348
C4	C3	H11	106.265	C4	O5	H13	104.897
O5	C4	O6	123.497	H8	C3	H11	106.777
H9	C2	H10	108.522	H9	C2	H12	108.257
H10	C2	H12	107.759

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: B1B95/6-31+G**

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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Number	Element	Mulliken
1	N	-0.524
2	C	-0.357
3	C	-0.224
4	C	0.421
5	O	-0.424
6	O	-0.461
7	H	0.322
8	H	0.190
9	H	0.152
10	H	0.163
11	H	0.190
12	H	0.163
13	H	0.391

	x	y	z	Total
	-5.754	-0.294	0.718	5.806
CHELPG
AIM
ESP

	x	y	z
x	9.347	-0.413	0.030
y	-0.413	7.606	-0.007
z	0.030	-0.007	5.872

<r²>	192.415
(<r²>)^1/2	13.871

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)