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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	-242.890584
Energy at 298.15K	-242.895436
HF Energy	-242.454646
Nuclear repulsion energy	121.076566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3746	3563	58.35
2	A'	3609	3433	58.54
3	A'	3568	3395	37.41
4	A'	1811	1723	340.12
5	A'	1701	1618	72.84
6	A'	1453	1382	109.44
7	A'	1225	1165	187.43
8	A'	1082	1029	87.22
9	A'	903	859	67.70
10	A'	574	546	30.43
11	A'	485	461	8.56
12	A"	757	720	79.77
13	A"	595	566	98.39
14	A"	478	454	120.80
15	A"	425	404	317.44

Atom	x (Å)	y (Å)
C1	0.000	0.147
O2	-0.218	1.366
N3	1.209	-0.491
O4	-1.019	-0.825
H5	2.056	0.058
H6	1.251	-1.498
H7	-1.877	-0.329

	C1	O2	N3	O4	H5	H6	H7
C1		1.2384	1.3670	1.4085	2.0578	2.0667	1.9366
O2	1.2384		2.3414	2.3331	2.6229	3.2187	2.3719
N3	1.3670	2.3414		2.2538	1.0085	1.0088	3.0911
O4	1.4085	2.3331	2.2538		3.1995	2.3680	0.9914
H5	2.0578	2.6229	1.0085	3.1995		1.7520	3.9522
H6	2.0667	3.2187	1.0088	2.3680	1.7520		3.3399
H7	1.9366	2.3719	3.0911	0.9914	3.9522	3.3399

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

using model chemistry: MP2/3-21G*

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	119.284	C1	N3	H6	120.139
C1	O4	H7	106.303	O2	C1	N3	127.904
O2	C1	O4	123.515	N3	C1	O4	108.581
H5	N3	H6	120.577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3563	58.29
2	A	3609	3433	58.35
3	A	3571	3397	37.48
4	A	1812	1724	340.24
5	A	1701	1618	72.99
6	A	1452	1381	109.85
7	A	1224	1165	186.07
8	A	1082	1029	87.34
9	A	902	858	68.62
10	A	756	719	79.46
11	A	594	565	96.73
12	A	574	546	30.33
13	A	485	461	8.69
14	A	476	453	126.33
15	A	426	405	313.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.034	0.143	0.000
O2	0.530	1.278	0.000
N3	-1.290	-0.196	-0.001
O4	0.799	-1.040	0.000
H5	-1.986	0.534	0.002
H6	-1.565	-1.166	0.001
H7	1.749	-0.758	-0.000

	C1	O2	N3	O4	H5	H6	H7
C1		1.2380	1.3670	1.4089	2.0576	2.0669	1.9372
O2	1.2380		2.3414	2.3336	2.6230	3.2188	2.3732
N3	1.3670	2.3414		2.2532	1.0085	1.0088	3.0907
O4	1.4089	2.3336	2.2532		3.1990	2.3672	0.9912
H5	2.0576	2.6230	1.0085	3.1990		1.7519	3.9522
H6	2.0669	3.2188	1.0088	2.3672	1.7519		3.3391
H7	1.9372	2.3732	3.0907	0.9912	3.9522	3.3391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.273	C1	N3	H6	120.168
C1	O4	H7	106.333	O2	C1	N3	127.936
O2	C1	O4	123.549	N3	C1	O4	108.516
H5	N3	H6	120.559

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

using model chemistry: MP2/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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