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	hartrees
Energy at 0K	-323.069091
Energy at 298.15K	-323.078698
HF Energy	-321.942628
Nuclear repulsion energy	244.264903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3570	3386	137.50
2	A	3560	3377	190.44
3	A	3188	3024	19.14
4	A	3146	2985	13.64
5	A	3141	2980	21.74
6	A	3084	2925	16.67
7	A	3050	2893	58.05
8	A	1876	1779	293.54
9	A	1538	1459	11.14
10	A	1519	1440	18.45
11	A	1506	1428	14.27
12	A	1492	1415	19.46
13	A	1474	1399	3.48
14	A	1450	1375	357.87
15	A	1361	1291	6.27
16	A	1308	1241	4.69
17	A	1254	1189	17.53
18	A	1203	1141	27.81
19	A	1172	1112	23.82
20	A	1153	1094	13.59
21	A	1021	969	19.13
22	A	999	948	18.78
23	A	921	874	61.17
24	A	897	851	19.05
25	A	796	755	65.30
26	A	659	625	3.34
27	A	585	555	9.15
28	A	480	455	8.70
29	A	382	362	3.72
30	A	289	274	4.01
31	A	214	203	2.17
32	A	136	129	2.48
33	A	80	76	6.02

Atom	x (Å)	y (Å)	z (Å)
N1	1.194	0.260	-0.335
C2	2.521	-0.072	0.181
C3	0.168	-0.713	0.032
C4	-1.219	-0.066	0.023
O5	-1.171	1.272	0.115
O6	-2.241	-0.700	-0.023
H7	1.240	0.315	-1.349
H8	0.138	-1.615	-0.589
H9	2.863	-1.074	-0.115
H10	3.242	0.665	-0.179
H11	0.350	-1.030	1.065
H12	2.500	-0.024	1.272
H13	-0.212	1.469	0.092

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4628	1.4611	2.4605	2.6106	3.5803	1.0157	2.1672	2.1485	2.0936	2.0825	2.0904	1.9022
C2	1.4628		2.4437	3.7435	3.9295	4.8082	2.0323	2.9418	1.0986	1.0917	2.5321	1.0923	3.1391
C3	1.4611	2.4437		1.5300	2.3949	2.4098	2.0279	1.0960	2.7235	3.3753	1.0954	2.7295	2.2151
C4	2.4605	3.7435	1.5300		1.3415	1.2040	2.8408	2.1481	4.2068	4.5245	2.1162	3.9231	1.8366
O5	2.6106	3.9295	2.3949	1.3415		2.2476	2.9780	3.2466	4.6717	4.4635	2.9178	4.0606	0.9789
O6	3.5803	4.8082	2.4098	1.2040	2.2476		3.8607	2.6112	5.1190	5.6525	2.8303	4.9612	2.9721
H7	1.0157	2.0323	2.0279	2.8408	2.9780	3.8607		2.3486	2.4667	2.3451	2.9024	2.9271	2.3484
H8	2.1672	2.9418	1.0960	2.1481	3.2466	2.6112	2.3486		2.8188	3.8734	1.7671	3.4022	3.1774
H9	2.1485	1.0986	2.7235	4.2068	4.6717	5.1190	2.4667	2.8188		1.7807	2.7762	1.7768	3.9954
H10	2.0936	1.0917	3.3753	4.5245	4.4635	5.6525	2.3451	3.8734	1.7807		3.5747	1.7684	3.5563
H11	2.0825	2.5321	1.0954	2.1162	2.9178	2.8303	2.9024	1.7671	2.7762	3.5747		2.3824	2.7398
H12	2.0904	1.0923	2.7295	3.9231	4.0606	4.9612	2.9271	3.4022	1.7768	1.7684	2.3824		3.3126
H13	1.9022	3.1391	2.2151	1.8366	0.9789	2.9721	2.3484	3.1774	3.9954	3.5563	2.7398	3.3126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.256	N1	C2	H10	109.223
N1	C2	H12	108.931	N1	C3	C4	110.672
N1	C3	H8	115.140	N1	C3	H11	108.241
C2	N1	C3	113.388	C2	N1	H7	108.825
C3	N1	H7	108.586	C3	C4	O5	112.866
C3	C4	O6	123.183	C4	C3	H8	108.646
C4	C3	H11	106.239	C4	O5	H13	103.547
O5	C4	O6	123.916	H8	C3	H11	107.488
H9	C2	H10	108.784	H9	C2	H12	108.388
H10	C2	H12	108.135

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)