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	hartrees
Energy at 0K	-323.055840
Energy at 298.15K	-323.065468
HF Energy	-321.888706
Nuclear repulsion energy	245.224877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3586	3371	8.90
2	A	3509	3298	325.96
3	A	3221	3027	11.57
4	A	3180	2989	13.94
5	A	3169	2978	9.86
6	A	3108	2921	11.42
7	A	3083	2898	45.81
8	A	1888	1774	286.52
9	A	1560	1466	8.47
10	A	1540	1447	16.15
11	A	1515	1424	16.36
12	A	1496	1406	15.78
13	A	1485	1396	1.77
14	A	1452	1364	370.84
15	A	1367	1285	9.54
16	A	1316	1237	4.66
17	A	1260	1185	11.77
18	A	1217	1144	28.84
19	A	1184	1113	23.22
20	A	1162	1092	9.78
21	A	1029	967	17.05
22	A	1008	948	18.81
23	A	936	880	51.61
24	A	905	851	19.74
25	A	801	753	70.06
26	A	659	620	4.05
27	A	597	561	6.85
28	A	481	452	9.52
29	A	384	361	5.10
30	A	288	271	3.74
31	A	213	200	2.50
32	A	139	131	2.43
33	A	83	78	6.45

Atom	x (Å)	y (Å)	z (Å)
N1	1.185	0.270	-0.311
C2	2.517	-0.080	0.162
C3	0.167	-0.709	0.040
C4	-1.214	-0.068	0.023
O5	-1.165	1.264	0.116
O6	-2.236	-0.698	-0.034
H7	1.207	0.374	-1.319
H8	0.146	-1.603	-0.587
H9	2.863	-1.057	-0.189
H10	3.227	0.677	-0.165
H11	0.345	-1.034	1.066
H12	2.514	-0.092	1.251
H13	-0.204	1.462	0.109

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4562	1.4551	2.4458	2.5869	3.5658	1.0133	2.1597	2.1428	2.0869	2.0744	2.0827	1.8778
C2	1.4562		2.4356	3.7338	3.9198	4.7965	2.0287	2.9155	1.0944	1.0881	2.5382	1.0886	3.1279
C3	1.4551	2.4356		1.5227	2.3812	2.4036	2.0245	1.0925	2.7280	3.3650	1.0920	2.7127	2.2030
C4	2.4458	3.7338	1.5227		1.3357	1.2015	2.8031	2.1405	4.2008	4.5068	2.1110	3.9259	1.8351
O5	2.5869	3.9198	2.3812	1.3357		2.2400	2.9115	3.2303	4.6587	4.4396	2.9095	4.0821	0.9812
O6	3.5658	4.7965	2.4036	1.2015	2.2400		3.8278	2.6077	5.1134	5.6342	2.8258	4.9579	2.9687
H7	1.0133	2.0287	2.0245	2.8031	2.9115	3.8278		2.3601	2.4629	2.3457	2.9007	2.9205	2.2832
H8	2.1597	2.9155	1.0925	2.1405	3.2303	2.6077	2.3601		2.7991	3.8555	1.7599	3.3570	3.1627
H9	2.1428	1.0944	2.7280	4.2008	4.6587	5.1134	2.4629	2.7991		1.7719	2.8132	1.7684	3.9800
H10	2.0869	1.0881	3.3650	4.5068	4.4396	5.6342	2.3457	3.8555	1.7719		3.5700	1.7612	3.5300
H11	2.0744	2.5382	1.0920	2.1110	2.9095	2.8258	2.9007	1.7599	2.8132	3.5700		2.3721	2.7293
H12	2.0827	1.0886	2.7127	3.9259	4.0821	4.9579	2.9205	3.3570	1.7684	1.7612	2.3721		3.3329
H13	1.8778	3.1279	2.2030	1.8351	0.9812	2.9687	2.2832	3.1627	3.9800	3.5300	2.7293	3.3329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.544	N1	C2	H10	109.365
N1	C2	H12	108.999	N1	C3	C4	110.422
N1	C3	H8	115.202	N1	C3	H11	108.219
C2	N1	C3	113.569	C2	N1	H7	109.148
C3	N1	H7	108.889	C3	C4	O5	112.662
C3	C4	O6	123.418	C4	C3	H8	108.751
C4	C3	H11	106.513	C4	O5	H13	103.701
O5	C4	O6	123.893	H8	C3	H11	107.342
H9	C2	H10	108.559	H9	C2	H12	108.205
H10	C2	H12	108.024

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)