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	hartrees
Energy at 0K	-395.311174
Energy at 298.15K	-395.321170
HF Energy	-394.494591
Nuclear repulsion energy	320.048921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3471	3398
2	A	3464	3390
3	A	3453	3380
4	A	3373	3302
5	A	3123	3057
6	A	3063	2998
7	A	2965	2902
8	A	1753	1715
9	A	1644	1609
10	A	1583	1550
11	A	1472	1441
12	A	1415	1385
13	A	1405	1375
14	A	1369	1340
15	A	1364	1335
16	A	1257	1230
17	A	1200	1174
18	A	1152	1127
19	A	1091	1068
20	A	1035	1013
21	A	1013	992
22	A	963	943
23	A	842	824
24	A	774	758
25	A	694	680
26	A	640	627
27	A	620	607
28	A	548	536
29	A	517	506
30	A	406	398
31	A	307	301
32	A	292	286
33	A	250	245
34	A	239	234
35	A	170	166
36	A	49	48

Atom	x (Å)	y (Å)	z (Å)
C1	0.727	-0.616	-0.043
O2	2.103	-0.377	-0.043
O3	0.247	-1.751	0.182
C4	-0.063	0.672	-0.355
C5	-1.465	0.583	0.305
O6	-2.239	-0.547	-0.218
N7	0.615	1.927	0.059
H8	2.563	-1.246	0.137
H9	-0.221	0.702	-1.443
H10	-1.337	0.541	1.404
H11	-2.015	1.495	0.052
H12	-1.686	-1.353	-0.024
H13	1.516	2.021	-0.425
H14	0.795	1.913	1.072

	C1	O2	O3	C4	C5	O6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3965	1.2519	1.5427	2.5227	2.9716	2.5479	1.9497	2.1442	2.7737	3.4615	2.5229	2.7787	2.7650
O2	1.3965		2.3189	2.4265	3.7112	4.3484	2.7447	0.9995	2.9204	3.8430	4.5243	3.9124	2.4981	2.8633
O3	1.2519	2.3189		2.5008	2.8974	2.7913	3.6982	2.3701	2.9798	3.0425	3.9583	1.9847	4.0248	3.8097
C4	1.5427	2.4265	2.5008		1.5528	2.4981	1.4857	3.2888	1.1000	2.1762	2.1574	2.6167	2.0775	2.0766
C5	2.5227	3.7112	2.8974	1.5528		1.4662	2.4892	4.4271	2.1494	1.1065	1.0944	1.9767	3.3891	2.7320
O6	2.9716	4.3484	2.7913	2.4981	1.4662		3.7876	4.8655	2.6709	2.1510	2.0713	0.9968	4.5535	4.1133
N7	2.5479	2.7447	3.6982	1.4857	2.4892	3.7876		3.7241	2.1113	2.7464	2.6660	4.0083	1.0264	1.0286
H8	1.9497	0.9995	2.3701	3.2888	4.4271	4.8655	3.7241		3.7480	4.4732	5.3365	4.2534	3.4761	3.7390
H9	2.1442	2.9204	2.9798	1.1000	2.1494	2.6709	2.1113	3.7480		3.0623	2.4659	2.8961	2.4070	2.9706
H10	2.7737	3.8430	3.0425	2.1762	1.1065	2.1510	2.7464	4.4732	3.0623		1.7880	2.3977	3.6976	2.5571
H11	3.4615	4.5243	3.9583	2.1574	1.0944	2.0713	2.6660	5.3365	2.4659	1.7880		2.8678	3.6018	3.0187
H12	2.5229	3.9124	1.9847	2.6167	1.9767	0.9968	4.0083	4.2534	2.8961	2.3977	2.8678		4.6688	4.2456
H13	2.7787	2.4981	4.0248	2.0775	3.3891	4.5535	1.0264	3.4761	2.4070	3.6976	3.6018	4.6688		1.6645
H14	2.7650	2.8633	3.8097	2.0766	2.7320	4.1133	1.0286	3.7390	2.9706	2.5571	3.0187	4.2456	1.6645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H8	107.769	C1	C4	C5	109.164
C1	C4	N7	114.551	C1	C4	H9	107.272
O2	C1	O3	122.136	O2	C1	C4	111.193
O3	C1	C4	126.671	C4	C5	O6	111.649
C4	C5	H10	108.673	C4	C5	H11	107.914
C4	N7	H13	110.238	C4	N7	H14	110.035
C5	C4	N7	109.997	C5	C4	H9	106.996
C5	O6	H12	105.147	O6	C5	H10	112.708
O6	C5	H11	107.086	N7	C4	H9	108.560
H10	C5	H11	108.654	H13	N7	H14	108.186

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)

using model chemistry: MP4=FULL/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 HO2CCHNH2CH2OH (Serine)

using model chemistry: MP4=FULL/3-21G

States and conformations

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)