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	hartrees
Energy at 0K	-322.371310
Energy at 298.15K	-322.380748
HF Energy	-321.749864
Nuclear repulsion energy	241.671394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3553	3430	3.17
2	A	3326	3210	219.00
3	A	3154	3044	24.82
4	A	3115	3007	12.51
5	A	3110	3002	33.56
6	A	3033	2928	23.18
7	A	3003	2899	58.93
8	A	1690	1631	235.81
9	A	1553	1499	9.52
10	A	1533	1480	15.38
11	A	1510	1458	11.38
12	A	1505	1453	7.18
13	A	1492	1440	4.87
14	A	1375	1327	7.96
15	A	1332	1285	350.47
16	A	1293	1248	8.02
17	A	1188	1146	7.63
18	A	1174	1133	6.12
19	A	1145	1106	68.55
20	A	1109	1071	24.84
21	A	1015	980	13.24
22	A	923	891	58.57
23	A	890	859	148.90
24	A	823	795	69.85
25	A	756	730	14.57
26	A	613	592	15.01
27	A	534	515	9.48
28	A	496	479	3.67
29	A	370	357	2.35
30	A	325	313	21.87
31	A	193	187	0.67
32	A	135	131	0.73
33	A	81	78	5.55

Atom	x (Å)	y (Å)	z (Å)
N1	1.311	-0.047	-0.573
C2	2.108	0.123	0.691
C3	0.099	-0.915	-0.414
C4	-1.116	-0.033	0.016
O5	-0.901	1.329	-0.221
O6	-2.179	-0.484	0.498
H7	1.900	-0.342	-1.357
H8	-0.151	-1.377	-1.385
H9	2.498	-0.837	1.083
H10	2.950	0.803	0.490
H11	0.227	-1.721	0.333
H12	1.462	0.583	1.457
H13	0.032	1.411	-0.583

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.5040	1.4989	2.4972	2.6287	3.6767	1.0233	2.1361	2.1859	2.1310	2.1909	2.1312	1.9386
C2	1.5040		2.5160	3.2967	3.3673	4.3337	2.1098	3.4143	1.1083	1.1016	2.6579	1.1023	2.7544
C3	1.4989	2.5160		1.5619	2.4642	2.4916	2.1111	1.1040	2.8283	3.4492	1.1068	2.7569	2.3325
C4	2.4972	3.2967	1.5619		1.3985	1.2515	3.3275	2.1682	3.8525	4.1780	2.1808	3.0166	1.9392
O5	2.6287	3.3673	2.4642	1.3985		2.3314	3.4536	3.0393	4.2362	3.9518	3.2991	2.9930	1.0049
O6	3.6767	4.3337	2.4916	1.2515	2.3314		4.4826	2.9079	4.7264	5.2885	2.7110	3.9137	3.1063
H7	1.0233	2.1098	2.1111	3.3275	3.4536	4.4826		2.2964	2.5603	2.4137	2.7482	2.9939	2.6752
H8	2.1361	3.4143	1.1040	2.1682	3.0393	2.9079	2.2964		3.6601	4.2289	1.7927	3.8102	2.9060
H9	2.1859	1.1083	2.8283	3.8525	4.2362	4.7264	2.5603	3.6601		1.8024	2.5491	1.7968	3.7292
H10	2.1310	1.1016	3.4492	4.1780	3.9518	5.2885	2.4137	4.2289	1.8024		3.7166	1.7883	3.1677
H11	2.1909	2.6579	1.1068	2.1808	3.2991	2.7110	2.7482	1.7927	2.5491	3.7166		2.8457	3.2691
H12	2.1312	1.1023	2.7569	3.0166	2.9930	3.9137	2.9939	3.8102	1.7968	1.7883	2.8457		2.6251
H13	1.9386	2.7544	2.3325	1.9392	1.0049	3.1063	2.6752	2.9060	3.7292	3.1677	3.2691	2.6251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	112.727	N1	C2	H10	108.766
N1	C2	H12	108.738	N1	C3	C4	109.328
N1	C3	H8	109.366	N1	C3	H11	113.602
C2	N1	C3	113.830	C2	N1	H7	111.786
C3	N1	H7	112.279	C3	C4	O5	112.573
C3	C4	O6	124.281	C4	C3	H8	107.597
C4	C3	H11	108.403	C4	O5	H13	106.430
O5	C4	O6	123.133	H8	C3	H11	108.368
H9	C2	H10	109.294	H9	C2	H12	108.750
H10	C2	H12	108.480

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)