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	hartrees
Energy at 0K	-323.639540
Energy at 298.15K	-323.649008
Nuclear repulsion energy	244.138373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3565	3422	6.78
2	A	3415	3278	388.01
3	A	3146	3021	18.57
4	A	3115	2991	3.90
5	A	3104	2980	26.54
6	A	3062	2939	16.22
7	A	3010	2890	77.87
8	A	1870	1795	420.35
9	A	1519	1459	16.63
10	A	1498	1438	18.72
11	A	1489	1430	17.37
12	A	1473	1414	12.52
13	A	1454	1396	4.91
14	A	1427	1370	391.05
15	A	1344	1290	9.14
16	A	1291	1239	2.86
17	A	1232	1183	17.30
18	A	1184	1137	33.30
19	A	1158	1112	25.88
20	A	1139	1093	11.67
21	A	1011	970	24.74
22	A	972	933	30.60
23	A	926	889	50.52
24	A	883	848	19.93
25	A	785	754	67.49
26	A	636	611	3.76
27	A	571	548	8.55
28	A	484	464	8.99
29	A	374	359	4.94
30	A	296	284	9.65
31	A	205	197	1.99
32	A	135	129	3.08
33	A	48	46	5.46

Atom	x (Å)	y (Å)	z (Å)
N1	-1.206	0.207	0.380
C2	-2.490	-0.051	-0.267
C3	-0.146	-0.751	0.076
C4	1.214	-0.052	-0.026
O5	1.118	1.280	-0.089
O6	2.262	-0.651	-0.072
H7	-1.335	0.274	1.385
H8	-0.057	-1.578	0.792
H9	-2.917	-1.036	-0.023
H10	-3.205	0.720	0.031
H11	-0.336	-1.203	-0.904
H12	-2.366	0.010	-1.352
H13	0.148	1.460	-0.009

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4608	1.4611	2.4675	2.6022	3.6005	1.0154	2.1618	2.1530	2.0933	2.0963	2.0945	1.8852
C2	1.4608		2.4705	3.7119	3.8496	4.7931	2.0418	3.0612	1.1006	1.0933	2.5245	1.0942	3.0508
C3	1.4611	2.4705		1.5327	2.3980	2.4138	2.0443	1.0969	2.7880	3.3951	1.0961	2.7481	2.2320
C4	2.4675	3.7119	1.5327		1.3367	1.2077	2.9317	2.1478	4.2471	4.4863	2.1211	3.8188	1.8496
O5	2.6022	3.8496	2.3980	1.3367		2.2445	3.0334	3.2127	4.6528	4.3603	2.9903	3.9175	0.9896
O6	3.6005	4.7931	2.4138	1.2077	2.2445		3.9891	2.6419	5.1933	5.6367	2.7826	4.8470	2.9877
H7	1.0154	2.0418	2.0443	2.9317	3.0334	3.9891		2.3264	2.4904	2.3517	2.9019	2.9372	2.3556
H8	2.1618	3.0612	1.0969	2.1478	3.2127	2.6419	2.3264		3.0233	3.9711	1.7598	3.5290	3.1476
H9	2.1530	1.1006	2.7880	4.2471	4.6528	5.1933	2.4904	3.0233		1.7804	2.7330	1.7789	3.9525
H10	2.0933	1.0933	3.3951	4.4863	4.3603	5.6367	2.3517	3.9711	1.7804		3.5785	1.7665	3.4335
H11	2.0963	2.5245	1.0961	2.1211	2.9903	2.7826	2.9019	1.7598	2.7330	3.5785		2.4074	2.8503
H12	2.0945	1.0942	2.7481	3.8188	3.9175	4.8470	2.9372	3.5290	1.7789	1.7665	2.4074		3.1979
H13	1.8852	3.0508	2.2320	1.8496	0.9896	2.9877	2.3556	3.1476	3.9525	3.4335	2.8503	3.1979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.656	N1	C2	H10	109.237
N1	C2	H12	109.279	N1	C3	C4	110.995
N1	C3	H8	114.631	N1	C3	H11	109.297
C2	N1	C3	115.456	C2	N1	H7	109.777
C3	N1	H7	109.966	C3	C4	O5	113.204
C3	C4	O6	123.046	C4	C3	H8	108.391
C4	C3	H11	106.395	C4	O5	H13	104.339
O5	C4	O6	123.734	H8	C3	H11	106.734
H9	C2	H10	108.492	H9	C2	H12	108.295
H10	C2	H12	107.714

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: B3PW91/6-31+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	-0.506
2	C	-0.380
3	C	-0.230
4	C	0.399
5	O	-0.421
6	O	-0.456
7	H	0.323
8	H	0.194
9	H	0.156
10	H	0.168
11	H	0.194
12	H	0.169
13	H	0.390

	x	y	z	Total
	-5.845	-0.401	0.808	5.914
CHELPG
AIM
ESP

	x	y	z
x	9.373	-0.405	0.002
y	-0.405	7.601	0.004
z	0.002	0.004	5.880

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)