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	hartrees
Energy at 0K	-322.910779
Energy at 298.15K	-322.920285
HF Energy	-321.904104
Nuclear repulsion energy	242.526240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3522	3377	5.78
2	A	3465	3323	306.35
3	A	3176	3046	17.27
4	A	3133	3004	11.19
5	A	3127	2999	18.19
6	A	3067	2941	14.64
7	A	3034	2910	60.24
8	A	1810	1736	325.08
9	A	1511	1449	10.67
10	A	1490	1429	12.25
11	A	1478	1417	15.03
12	A	1462	1402	8.48
13	A	1442	1383	3.43
14	A	1409	1351	346.47
15	A	1334	1279	13.64
16	A	1284	1232	5.46
17	A	1225	1175	19.71
18	A	1182	1134	27.95
19	A	1153	1106	25.15
20	A	1131	1084	15.54
21	A	1003	962	16.50
22	A	980	939	17.52
23	A	901	864	52.09
24	A	878	842	26.25
25	A	785	752	61.28
26	A	635	609	3.20
27	A	575	551	7.49
28	A	475	456	9.09
29	A	372	357	3.87
30	A	283	271	4.48
31	A	209	201	2.81
32	A	131	125	3.13
33	A	72	69	6.10

Atom	x (Å)	y (Å)	z (Å)
N1	1.205	0.281	-0.323
C2	2.536	-0.082	0.191
C3	0.173	-0.713	0.003
C4	-1.219	-0.072	0.022
O5	-1.191	1.279	0.113
O6	-2.253	-0.714	-0.007
H7	1.260	0.378	-1.338
H8	0.144	-1.590	-0.667
H9	2.880	-1.076	-0.152
H10	3.266	0.675	-0.128
H11	0.358	-1.084	1.025
H12	2.501	-0.086	1.290
H13	-0.229	1.501	0.092

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4715	1.4700	2.4743	2.6320	3.6124	1.0214	2.1781	2.1627	2.1074	2.0969	2.1012	1.9281
C2	1.4715		2.4529	3.7586	3.9679	4.8341	2.0435	2.9540	1.1063	1.0993	2.5376	1.1001	3.1873
C3	1.4700	2.4529		1.5323	2.4164	2.4256	2.0425	1.1036	2.7365	3.3933	1.1031	2.7334	2.2519
C4	2.4743	3.7586	1.5323		1.3549	1.2170	2.8638	2.1531	4.2244	4.5499	2.1254	3.9303	1.8605
O5	2.6320	3.9679	2.4164	1.3549		2.2616	2.9876	3.2589	4.7108	4.5044	2.9688	4.1080	0.9873
O6	3.6124	4.8341	2.4256	1.2170	2.2616		3.9125	2.6362	5.1483	5.6927	2.8321	4.9675	3.0021
H7	1.0214	2.0435	2.0425	2.8638	2.9876	3.9125		2.3598	2.4793	2.3616	2.9215	2.9432	2.3505
H8	2.1781	2.9540	1.1036	2.1531	3.2589	2.6362	2.3598		2.8314	3.8943	1.7788	3.4126	3.2044
H9	2.1627	1.1063	2.7365	4.2244	4.7108	5.1483	2.4793	2.8314		1.7928	2.7832	1.7901	4.0459
H10	2.1074	1.0993	3.3933	4.5499	4.5044	5.6927	2.3616	3.8943	1.7928		3.5886	1.7820	3.5984
H11	2.0969	2.5376	1.1031	2.1254	2.9688	2.8321	2.9215	1.7788	2.7832	3.5886		2.3784	2.8100
H12	2.1012	1.1001	2.7334	3.9303	4.1080	4.9675	2.9432	3.4126	1.7901	1.7820	2.3784		3.3770
H13	1.9281	3.1873	2.2519	1.8605	0.9873	3.0021	2.3505	3.2044	4.0459	3.5984	2.8100	3.3770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.305	N1	C2	H10	109.259
N1	C2	H12	108.725	N1	C3	C4	110.991
N1	C3	H8	114.888	N1	C3	H11	108.321
C2	N1	C3	113.005	C2	N1	H7	108.767
C3	N1	H7	108.804	C3	C4	O5	113.501
C3	C4	O6	123.433	C4	C3	H8	108.445
C4	C3	H11	106.372	C4	O5	H13	104.082
O5	C4	O6	123.040	H8	C3	H11	107.431
H9	C2	H10	108.751	H9	C2	H12	108.451
H10	C2	H12	108.231

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)