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	hartrees
Energy at 0K	-320.601511
Energy at 298.15K	-320.611148
Nuclear repulsion energy	242.326732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3558	3314	2.74
2	A	3459	3223	262.68
3	A	3216	2996	20.07
4	A	3192	2973	9.51
5	A	3181	2963	25.58
6	A	3148	2933	9.68
7	A	3103	2891	45.02
8	A	1915	1784	293.62
9	A	1641	1529	6.72
10	A	1621	1510	16.53
11	A	1595	1485	12.96
12	A	1572	1464	7.99
13	A	1560	1453	2.21
14	A	1451	1352	429.27
15	A	1427	1329	11.16
16	A	1359	1266	5.56
17	A	1258	1172	27.78
18	A	1231	1147	5.59
19	A	1205	1122	42.61
20	A	1157	1078	28.54
21	A	1062	989	46.32
22	A	978	911	3.31
23	A	937	873	104.44
24	A	875	815	22.72
25	A	797	742	103.77
26	A	655	610	6.11
27	A	596	555	11.98
28	A	477	444	12.73
29	A	401	374	6.28
30	A	300	280	5.40
31	A	211	197	1.32
32	A	137	128	1.70
33	A	72	67	6.50

Atom	x (Å)	y (Å)	z (Å)
N1	1.189	0.212	-0.363
C2	2.535	-0.058	0.208
C3	0.142	-0.772	0.008
C4	-1.227	-0.061	0.026
O5	-1.108	1.290	0.110
O6	-2.290	-0.646	0.007
H7	1.241	0.312	-1.374
H8	0.080	-1.646	-0.642
H9	2.951	-1.023	-0.098
H10	3.213	0.735	-0.107
H11	0.343	-1.118	1.023
H12	2.461	-0.038	1.294
H13	-0.134	1.487	0.067

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4867	1.4837	2.4621	2.5810	3.6021	1.0172	2.1817	2.1679	2.1056	2.0991	2.1042	1.8870
C2	1.4867		2.5053	3.7663	3.8855	4.8649	2.0771	3.0453	1.0947	1.0891	2.5678	1.0892	3.0870
C3	1.4837	2.5053		1.5427	2.4132	2.4353	2.0711	1.0908	2.8218	3.4222	1.0918	2.7519	2.2765
C4	2.4621	3.7663	1.5427		1.3583	1.2137	2.8611	2.1601	4.2887	4.5121	2.1397	3.9001	1.8952
O5	2.5810	3.8855	2.4132	1.3583		2.2703	2.9452	3.2549	4.6762	4.3617	2.9562	3.9882	0.9949
O6	3.6021	4.8649	2.4353	1.2137	2.2703		3.9098	2.6525	5.2552	5.6743	2.8619	4.9600	3.0334
H7	1.0172	2.0771	2.0711	2.8611	2.9452	3.9098		2.3906	2.5171	2.3817	2.9320	2.9550	2.3122
H8	2.1817	3.0453	1.0908	2.1601	3.2549	2.6525	2.3906		2.9878	3.9709	1.7668	3.4652	3.2192
H9	2.1679	1.0947	2.8218	4.2887	4.6762	5.2552	2.5171	2.9878		1.7773	2.8396	1.7742	3.9804
H10	2.1056	1.0891	3.4222	4.5121	4.3617	5.6743	2.3817	3.9709	1.7773		3.5978	1.7680	3.4345
H11	2.0991	2.5678	1.0918	2.1397	2.9562	2.8619	2.9320	1.7668	2.8396	3.5978		2.3930	2.8160
H12	2.1042	1.0892	2.7519	3.9001	3.9882	4.9600	2.9550	3.4652	1.7742	1.7680	2.3930		3.2507
H13	1.8870	3.0870	2.2765	1.8952	0.9949	3.0334	2.3122	3.2192	3.9804	3.4345	2.8160	3.2507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.364	N1	C2	H10	108.683
N1	C2	H12	108.563	N1	C3	C4	108.868
N1	C3	H8	115.012	N1	C3	H11	108.220
C2	N1	C3	115.007	C2	N1	H7	110.703
C3	N1	H7	110.427	C3	C4	O5	112.427
C3	C4	O6	123.696	C4	C3	H8	109.005
C4	C3	H11	107.382	C4	O5	H13	106.266
O5	C4	O6	123.845	H8	C3	H11	108.093
H9	C2	H10	108.949	H9	C2	H12	108.663
H10	C2	H12	108.518

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)