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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	¹A^'
1	2	no	C1	¹A

	hartrees
Energy at 0K	-242.917775
Energy at 298.15K	-242.922563
HF Energy	-242.452849
Nuclear repulsion energy	120.583979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3703	3591
2	A'	3568	3461
3	A'	3524	3417
4	A'	1765	1711
5	A'	1681	1630
6	A'	1431	1388
7	A'	1210	1174
8	A'	1062	1030
9	A'	874	848
10	A'	558	542
11	A'	474	460
12	A"	735	713
13	A"	589	571
14	A"	470	456
15	A"	402	390

Atom	x (Å)	y (Å)
C1	0.000	0.148
O2	-0.225	1.372
N3	1.215	-0.487
O4	-1.018	-0.836
H5	2.062	0.065
H6	1.260	-1.497
H7	-1.880	-0.340

	C1	O2	N3	O4	H5	H6	H7
C1		1.2443	1.3709	1.4165	2.0637	2.0726	1.9421
O2	1.2443		2.3513	2.3466	2.6343	3.2309	2.3813
N3	1.3709	2.3513		2.2603	1.0108	1.0114	3.0979
O4	1.4165	2.3466	2.2603		3.2093	2.3722	0.9939
H5	2.0637	2.6343	1.0108	3.2093		1.7557	3.9623
H6	2.0726	3.2309	1.0114	2.3722	1.7557		3.3460
H7	1.9421	2.3813	3.0979	0.9939	3.9623	3.3460

All results from a given calculation for NH₂COOH (Carbamic acid)

using model chemistry: MP4/3-21G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.332	C1	N3	H6	120.166
C1	O4	H7	106.030	O2	C1	N3	128.017
O2	C1	O4	123.624	N3	C1	O4	108.359
H5	N3	H6	120.501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3702	3591
2	A	3568	3460
3	A	3525	3418
4	A	1765	1711
5	A	1681	1630
6	A	1431	1388
7	A	1211	1174
8	A	1062	1030
9	A	875	849
10	A	735	713
11	A	589	571
12	A	559	542
13	A	475	461
14	A	469	455
15	A	401	389

Atom	x (Å)	y (Å)	z (Å)
C1	0.034	0.144	0.000
O2	0.535	1.283	0.000
N3	-1.294	-0.193	-0.000
O4	0.798	-1.048	0.000
H5	-1.991	0.539	0.000
H6	-1.572	-1.166	0.000
H7	1.751	-0.764	-0.000

	C1	O2	N3	O4	H5	H6	H7
C1		1.2443	1.3710	1.4161	2.0634	2.0729	1.9419
O2	1.2443		2.3509	2.3465	2.6329	3.2308	2.3815
N3	1.3710	2.3509		2.2605	1.0109	1.0114	3.0982
O4	1.4161	2.3465	2.2605		3.2093	2.3734	0.9939
H5	2.0634	2.6329	1.0109	3.2093		1.7558	3.9622
H6	2.0729	3.2308	1.0114	2.3734	1.7558		3.3471
H7	1.9419	2.3815	3.0982	0.9939	3.9622	3.3471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.293	C1	N3	H6	120.194
C1	O4	H7	106.048	O2	C1	N3	127.964
O2	C1	O4	123.641	N3	C1	O4	108.395
H5	N3	H6	120.513

All results from a given calculation for NH2COOH (Carbamic acid)

using model chemistry: MP4/3-21G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

All results from a given calculation for NH₂COOH (Carbamic acid)