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	hartrees
Energy at 0K	-322.840047
Energy at 298.15K	-322.849589
HF Energy	-321.876529
Nuclear repulsion energy	243.339203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3591	3378	6.96
2	A	3530	3320	317.53
3	A	3234	3042	17.26
4	A	3190	3001	17.57
5	A	3182	2993	13.30
6	A	3119	2934	14.51
7	A	3089	2905	63.84
8	A	1837	1727	328.92
9	A	1562	1469	9.49
10	A	1543	1451	11.97
11	A	1526	1435	14.92
12	A	1505	1416	9.52
13	A	1494	1405	0.37
14	A	1420	1336	375.82
15	A	1376	1294	28.90
16	A	1316	1238	4.75
17	A	1244	1170	10.43
18	A	1206	1134	27.80
19	A	1178	1108	29.50
20	A	1158	1089	17.08
21	A	1028	967	23.17
22	A	993	934	16.39
23	A	918	864	73.41
24	A	889	837	24.15
25	A	798	751	72.07
26	A	642	604	4.43
27	A	577	543	8.72
28	A	480	451	8.97
29	A	378	356	3.62
30	A	291	274	5.65
31	A	212	200	2.35
32	A	133	125	3.08
33	A	67	63	6.23

Atom	x (Å)	y (Å)	z (Å)
N1	1.203	0.250	-0.349
C2	2.520	-0.070	0.211
C3	0.165	-0.724	-0.008
C4	-1.213	-0.065	0.023
O5	-1.168	1.282	0.109
O6	-2.253	-0.698	0.009
H7	1.279	0.322	-1.360
H8	0.116	-1.593	-0.668
H9	2.881	-1.064	-0.073
H10	3.238	0.674	-0.126
H11	0.355	-1.092	1.003
H12	2.458	-0.020	1.297
H13	-0.209	1.503	0.073

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4661	1.4637	2.4649	2.6264	3.6017	1.0163	2.1636	2.1487	2.0909	2.0856	2.0877	1.9342
C2	1.4661		2.4530	3.7374	3.9291	4.8179	2.0403	2.9780	1.0949	1.0880	2.5209	1.0889	3.1523
C3	1.4637	2.4530		1.5282	2.4111	2.4186	2.0404	1.0931	2.7373	3.3780	1.0925	2.7304	2.2592
C4	2.4649	3.7374	1.5282		1.3498	1.2176	2.8759	2.1403	4.2150	4.5148	2.1160	3.8866	1.8624
O5	2.6264	3.9291	2.4111	1.3498		2.2594	3.0111	3.2433	4.6828	4.4546	2.9590	4.0320	0.9855
O6	3.6017	4.8179	2.4186	1.2176	2.2594		3.9227	2.6217	5.1473	5.6618	2.8193	4.9312	3.0045
H7	1.0163	2.0403	2.0404	2.8759	3.0111	3.9227		2.3450	2.4788	2.3428	2.9049	2.9274	2.3792
H8	2.1636	2.9780	1.0931	2.1403	3.2433	2.6217	2.3450		2.8767	3.8964	1.7612	3.4384	3.2001
H9	2.1487	1.0949	2.7373	4.2150	4.6828	5.1473	2.4788	2.8767		1.7752	2.7452	1.7739	4.0192
H10	2.0909	1.0880	3.3780	4.5148	4.4546	5.6618	2.3428	3.8964	1.7752		3.5643	1.7646	3.5509
H11	2.0856	2.5209	1.0925	2.1160	2.9590	2.8193	2.9049	1.7612	2.7452	3.5643		2.3787	2.8137
H12	2.0877	1.0889	2.7304	3.8866	4.0320	4.9312	2.9274	3.4384	1.7739	1.7646	2.3787		3.3059
H13	1.9342	3.1523	2.2592	1.8624	0.9855	3.0045	2.3792	3.2001	4.0192	3.5509	2.8137	3.3059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.276	N1	C2	H10	108.995
N1	C2	H12	108.697	N1	C3	C4	110.930
N1	C3	H8	114.835	N1	C3	H11	108.479
C2	N1	C3	113.703	C2	N1	H7	109.209
C3	N1	H7	109.393	C3	C4	O5	113.669
C3	C4	O6	123.083	C4	C3	H8	108.330
C4	C3	H11	106.507	C4	O5	H13	104.712
O5	C4	O6	123.215	H8	C3	H11	107.384
H9	C2	H10	108.818	H9	C2	H12	108.638
H10	C2	H12	108.306

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/6-31+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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All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)