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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	-242.897709
Energy at 298.15K	-242.902571
HF Energy	-242.454688
Nuclear repulsion energy	121.089074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3746	3577	58.41
2	A'	3609	3446	58.57
3	A'	3569	3408	37.55
4	A'	1811	1729	340.14
5	A'	1701	1624	73.03
6	A'	1453	1387	109.74
7	A'	1224	1169	187.58
8	A'	1082	1033	86.85
9	A'	903	862	67.59
10	A'	575	549	30.46
11	A'	485	463	8.58
12	A"	757	723	80.10
13	A"	595	568	98.77
14	A"	478	456	120.65
15	A"	426	407	316.92

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		1.2383	1.3669	1.4082	2.0576	2.0665	1.9365
O2	1.2383		2.3412	2.3328	2.6226	3.2185	2.3717
N3	1.3669	2.3412		2.2536	1.0084	1.0087	3.0909
O4	1.4082	2.3328	2.2536		3.1992	2.3680	0.9913
H5	2.0576	2.6226	1.0084	3.1992		1.7519	3.9519
H6	2.0665	3.2185	1.0087	2.3680	1.7519		3.3398
H7	1.9365	2.3717	3.0909	0.9913	3.9519	3.3398

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

using model chemistry: MP2=FULL/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	119.286	C1	N3	H6	120.142
C1	O4	H7	106.314	O2	C1	N3	127.898
O2	C1	O4	123.510	N3	C1	O4	108.592
H5	N3	H6	120.573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3577	58.35
2	A	3609	3446	58.39
3	A	3571	3410	37.62
4	A	1813	1731	340.26
5	A	1701	1624	73.17
6	A	1452	1387	110.14
7	A	1224	1169	186.22
8	A	1082	1033	86.98
9	A	902	862	68.51
10	A	756	722	79.80
11	A	594	567	97.13
12	A	574	548	30.36
13	A	485	463	8.71
14	A	476	455	126.21
15	A	427	408	313.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.034	0.143	0.000
O2	0.529	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	1.3668	1.4087	2.0574	2.0668	1.9371
O2	1.2380		2.3411	2.3333	2.6227	3.2185	2.3730
N3	1.3668	2.3411		2.2530	1.0084	1.0087	3.0905
O4	1.4087	2.3333	2.2530		3.1988	2.3672	0.9911
H5	2.0574	2.6227	1.0084	3.1988		1.7517	3.9519
H6	2.0668	3.2185	1.0087	2.3672	1.7517		3.3390
H7	1.9371	2.3730	3.0905	0.9911	3.9519	3.3390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.275	C1	N3	H6	120.170
C1	O4	H7	106.345	O2	C1	N3	127.930
O2	C1	O4	123.543	N3	C1	O4	108.527
H5	N3	H6	120.555

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

using model chemistry: MP2=FULL/3-21G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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