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

	hartrees
Energy at 0K	-244.507946
Energy at 298.15K
HF Energy	-243.840486
Nuclear repulsion energy	122.884771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3630	95.01
2	A'	3841	3613	100.27
3	A'	3706	3486	78.45
4	A'	1845	1735	601.44
5	A'	1654	1556	122.85
6	A'	1445	1360	185.81
7	A'	1236	1163	188.70
8	A'	1094	1029	40.11
9	A'	965	907	54.12
10	A'	579	545	33.12
11	A'	490	461	6.49
12	A"	757	712	16.38
13	A"	591	556	69.10
14	A"	460	433	83.86
15	A"	325i	306i	263.55

Atom	x (Å)	y (Å)
C1	0.000	0.130
O2	-0.082	1.352
N3	1.149	-0.593
O4	-1.085	-0.704
H5	2.023	-0.099
H6	1.131	-1.597
H7	-1.860	-0.121

	C1	O2	N3	O4	H5	H6	H7
C1		1.2244	1.3576	1.3685	2.0355	2.0641	1.8773
O2	1.2244		2.3015	2.2874	2.5560	3.1881	2.3094
N3	1.3576	2.3015		2.2367	1.0037	1.0039	3.0461
O4	1.3685	2.2874	2.2367		3.1660	2.3889	0.9698
H5	2.0355	2.5560	1.0037	3.1660		1.7433	3.8830
H6	2.0641	3.1881	1.0039	2.3889	1.7433		3.3352
H7	1.8773	2.3094	3.0461	0.9698	3.8830	3.3352

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

using model chemistry: MP2/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.325	C1	N3	H6	121.145
C1	O4	H7	105.538	O2	C1	N3	126.018
O2	C1	O4	123.715	N3	C1	O4	110.267
H5	N3	H6	120.530

	hartrees
Energy at 0K	-244.508231
Energy at 298.15K	-244.513087
HF Energy	-243.840120
Nuclear repulsion energy	122.825591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3840	3612	103.97
2	A	3827	3600	75.30
3	A	3683	3464	62.23
4	A	1845	1736	563.45
5	A	1662	1563	108.42
6	A	1443	1357	182.15
7	A	1242	1168	150.06
8	A	1109	1043	78.64
9	A	965	908	53.41
10	A	762	717	31.44
11	A	587	552	76.80
12	A	575	541	52.72
13	A	499	469	27.51
14	A	460	432	23.59
15	A	412	387	291.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.038	0.124	0.000
O2	-0.474	1.268	0.006
N3	1.277	-0.231	-0.056
O4	-0.831	-0.991	0.003
H5	1.941	0.497	0.146
H6	1.531	-1.178	0.170
H7	-1.744	-0.663	0.002

	C1	O2	N3	O4	H5	H6	H7
C1		1.2233	1.3643	1.3681	2.0196	2.0469	1.8784
O2	1.2233		2.3060	2.2862	2.5389	3.1670	2.3107
N3	1.3643	2.3060		2.2420	1.0058	1.0060	3.0526
O4	1.3681	2.2862	2.2420		3.1494	2.3759	0.9698
H5	2.0196	2.5389	1.0058	3.1494		1.7247	3.8659
H6	2.0469	3.1670	1.0060	2.3759	1.7247		3.3199
H7	1.8784	2.3107	3.0526	0.9698	3.8659	3.3199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.062	C1	N3	H6	118.656
C1	O4	H7	105.658	O2	C1	N3	125.956
O2	C1	O4	123.733	N3	C1	O4	110.274
H5	N3	H6	118.024

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

using model chemistry: MP2/6-31+G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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