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	hartrees
Energy at 0K	-323.661070
Energy at 298.15K	-323.670653
HF Energy	-323.661070
Nuclear repulsion energy	244.403970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3604	3432	7.38
2	A	3544	3375	359.40
3	A	3162	3011	20.28
4	A	3134	2984	4.82
5	A	3118	2969	27.42
6	A	3079	2932	14.41
7	A	3022	2878	72.94
8	A	1895	1804	429.83
9	A	1537	1464	18.73
10	A	1517	1445	17.75
11	A	1509	1437	19.57
12	A	1496	1425	9.94
13	A	1472	1402	2.12
14	A	1445	1376	409.81
15	A	1366	1301	10.81
16	A	1310	1247	3.12
17	A	1253	1193	16.06
18	A	1206	1149	31.93
19	A	1178	1122	22.73
20	A	1157	1102	11.19
21	A	1025	976	17.41
22	A	985	938	30.49
23	A	917	873	67.74
24	A	890	848	19.10
25	A	785	747	65.98
26	A	644	614	3.08
27	A	577	549	10.54
28	A	494	470	9.40
29	A	385	367	4.17
30	A	316	301	9.08
31	A	238	226	1.99
32	A	136	130	3.43
33	A	46	44	4.89

Atom	x (Å)	y (Å)	z (Å)
N1	1.198	0.282	-0.291
C2	2.532	-0.084	0.188
C3	0.167	-0.720	-0.028
C4	-1.217	-0.072	0.048
O5	-1.183	1.263	0.110
O6	-2.243	-0.700	-0.003
H7	1.237	0.475	-1.288
H8	0.129	-1.549	-0.743
H9	2.899	-1.032	-0.231
H10	3.238	0.709	-0.070
H11	0.355	-1.154	0.961
H12	2.509	-0.174	1.277
H13	-0.233	1.502	0.030

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4627	1.4613	2.4644	2.6073	3.5907	1.0158	2.1678	2.1492	2.0952	2.0831	2.0938	1.9081
C2	1.4627		2.4579	3.7509	3.9524	4.8184	2.0404	2.9640	1.0995	1.0922	2.5460	1.0936	3.1907
C3	1.4613	2.4579		1.5298	2.4032	2.4108	2.0393	1.0965	2.7570	3.3868	1.0958	2.7357	2.2577
C4	2.4644	3.7509	1.5298		1.3372	1.2048	2.8468	2.1497	4.2352	4.5239	2.1148	3.9245	1.8558
O5	2.6073	3.9524	2.4032	1.3372		2.2343	2.9040	3.2190	4.6955	4.4593	2.9888	4.1307	0.9830
O6	3.5907	4.8184	2.4108	1.2048	2.2343		3.8915	2.6266	5.1580	5.6597	2.8081	4.9499	2.9818
H7	1.0158	2.0404	2.0393	2.8468	2.9040	3.8915		2.3705	2.4790	2.3538	2.9131	2.9353	2.2253
H8	2.1678	2.9640	1.0965	2.1497	3.2190	2.6266	2.3705		2.8636	3.9006	1.7641	3.4113	3.1682
H9	2.1492	1.0995	2.7570	4.2352	4.6955	5.1580	2.4790	2.8636		1.7805	2.8124	1.7786	4.0365
H10	2.0952	1.0922	3.3868	4.5239	4.4593	5.6597	2.3538	3.9006	1.7805		3.5837	1.7675	3.5615
H11	2.0831	2.5460	1.0958	2.1148	2.9888	2.8081	2.9131	1.7641	2.8124	3.5837		2.3877	2.8745
H12	2.0938	1.0936	2.7357	3.9245	4.1307	4.9499	2.9353	3.4113	1.7786	1.7675	2.3877		3.4469
H13	1.9081	3.1907	2.2577	1.8558	0.9830	2.9818	2.2253	3.1682	4.0365	3.5615	2.8745	3.4469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.268	N1	C2	H10	109.331
N1	C2	H12	109.132	N1	C3	C4	110.936
N1	C3	H8	115.151	N1	C3	H11	108.256
C2	N1	C3	114.406	C2	N1	H7	109.495
C3	N1	H7	109.510	C3	C4	O5	113.736
C3	C4	O6	123.232	C4	C3	H8	108.753
C4	C3	H11	106.130	C4	O5	H13	105.207
O5	C4	O6	122.952	H8	C3	H11	107.168
H9	C2	H10	108.658	H9	C2	H12	108.387
H10	C2	H12	107.928

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: wB97X-D/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	-0.550
2	C	-0.354
3	C	-0.199
4	C	0.429
5	O	-0.443
6	O	-0.469
7	H	0.323
8	H	0.192
9	H	0.151
10	H	0.164
11	H	0.191
12	H	0.165
13	H	0.399

	x	y	z	Total
	5.912	-0.427	-0.883	5.993
CHELPG
AIM
ESP

	x	y	z
x	9.110	0.437	-0.025
y	0.437	7.483	-0.024
z	-0.025	-0.024	5.885

<r²>	191.480
(<r²>)^1/2	13.838

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)