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	hartrees
Energy at 0K	-397.935701
Energy at 298.15K
HF Energy	-396.750509
Nuclear repulsion energy	324.757826

Atom	x (Å)	y (Å)	z (Å)
C1	0.795	-0.534	0.018
O2	2.071	-0.332	-0.384
O3	0.426	-1.556	0.570
C4	-0.092	0.670	-0.307
C5	-1.520	0.431	0.189
O6	-2.117	-0.711	-0.397
N7	0.412	1.932	0.231
H8	2.584	-1.123	-0.160
H9	-0.124	0.751	-1.398
H10	-1.518	0.371	1.286
H11	-2.117	1.295	-0.097
H12	-1.683	-1.493	-0.036
H13	1.307	2.179	-0.173
H14	0.524	1.889	1.239

	C1	O2	O3	C4	C5	O6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3523	1.2189	1.5308	2.5143	2.9468	2.5051	1.8914	2.1216	2.7894	3.4414	2.6575	2.7681	2.7273
O2	1.3523		2.2612	2.3849	3.7153	4.2047	2.8733	0.9689	2.6491	4.0203	4.5020	3.9443	2.6333	3.1559
O3	1.2189	2.2612		2.4481	2.8071	2.8490	3.5044	2.3191	3.0823	2.8292	3.8786	2.1952	3.9091	3.5105
C4	1.5308	2.3849	2.4481		1.5305	2.4524	1.4614	3.2245	1.0944	2.1587	2.1297	2.6985	2.0624	2.0627
C5	2.5143	3.7153	2.8071	1.5305		1.4151	2.4469	4.4022	2.1381	1.0979	1.0891	1.9435	3.3439	2.7212
O6	2.9468	4.2047	2.8490	2.4524	1.4151		3.7111	4.7249	2.6668	2.0876	2.0281	0.9646	4.4861	4.0505
N7	2.5051	2.8733	3.5044	1.4614	2.4469	3.7111		3.7687	2.0818	2.6972	2.6285	4.0234	1.0131	1.0150
H8	1.8914	0.9689	2.3191	3.2245	4.4022	4.7249	3.7687		3.5180	4.5991	5.2870	4.2847	3.5404	3.9081
H9	2.1216	2.6491	3.0823	1.0944	2.1381	2.6668	2.0818	3.5180		3.0481	2.4414	3.0532	2.3634	2.9438
H10	2.7894	4.0203	2.8292	2.1587	1.0979	2.0876	2.6972	4.5991	3.0481		1.7681	2.2904	3.6582	2.5451
H11	3.4414	4.5020	3.8786	2.1297	1.0891	2.0281	2.6285	5.2870	2.4414	1.7681		2.8224	3.5373	3.0187
H12	2.6575	3.9443	2.1952	2.6985	1.9435	0.9646	4.0234	4.2847	3.0532	2.2904	2.8224		4.7373	4.2344
H13	2.7681	2.6333	3.9091	2.0624	3.3439	4.4861	1.0131	3.5404	2.3634	3.6582	3.5373	4.7373		1.6409
H14	2.7273	3.1559	3.5105	2.0627	2.7212	4.0505	1.0150	3.9081	2.9438	2.5451	3.0187	4.2344	1.6409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H8	108.009	C1	C4	C5	110.433
C1	C4	N7	113.669	C1	C4	H9	106.649
O2	C1	O3	123.072	O2	C1	C4	111.478
O3	C1	C4	125.449	C4	C5	O6	112.661
C4	C5	H10	109.325	C4	C5	H11	107.580
C4	N7	H13	111.625	C4	N7	H14	111.534
C5	C4	N7	109.713	C5	C4	H9	107.928
C5	O6	H12	108.008	O6	C5	H10	111.723
O6	C5	H11	107.454	N7	C4	H9	108.228
H10	C5	H11	107.885	H13	N7	H14	108.020

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)

using model chemistry: QCISD/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 HO2CCHNH2CH2OH (Serine)

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

States and conformations

All results from a given calculation for HO₂CCHNH₂CH₂OH (Serine)