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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	-244.857546
Energy at 298.15K
HF Energy	-243.924787
Nuclear repulsion energy	123.984837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3842	3681
2	A'	3807	3647
3	A'	3674	3519
4	A'	1865	1787
5	A'	1640	1571
6	A'	1461	1399
7	A'	1247	1195
8	A'	1086	1040
9	A'	970	930
10	A'	591	566
11	A'	489	468
12	A"	800	767
13	A"	594	569
14	A"	483	463
15	A"	238i	228i

Atom	x (Å)	y (Å)
C1	0.000	0.130
O2	-0.064	1.336
N3	1.135	-0.604
O4	-1.088	-0.680
H5	2.011	-0.123
H6	1.102	-1.602
H7	-1.841	-0.080

	C1	O2	N3	O4	H5	H6	H7
C1		1.2074	1.3515	1.3560	2.0264	2.0529	1.8526
O2	1.2074		2.2803	2.2604	2.5364	3.1609	2.2713
N3	1.3515	2.2803		2.2239	0.9989	0.9991	3.0215
O4	1.3560	2.2604	2.2239		3.1479	2.3757	0.9629
H5	2.0264	2.5364	0.9989	3.1479		1.7362	3.8515
H6	2.0529	3.1609	0.9991	2.3757	1.7362		3.3130
H7	1.8526	2.2713	3.0215	0.9629	3.8515	3.3130

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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	118.352	C1	N3	H6	120.971
C1	O4	H7	104.780	O2	C1	N3	125.939
O2	C1	O4	123.613	N3	C1	O4	110.449
H5	N3	H6	120.677

	hartrees
Energy at 0K	-244.857704
Energy at 298.15K	-244.862525
HF Energy	-243.924692
Nuclear repulsion energy	123.927531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3841	3680
2	A	3777	3618
3	A	3652	3498
4	A	1866	1788
5	A	1645	1576
6	A	1459	1398
7	A	1253	1200
8	A	1100	1054
9	A	972	931
10	A	799	766
11	A	595	570
12	A	579	555
13	A	500	479
14	A	468	448
15	A	331	317

Atom	x (Å)	y (Å)	z (Å)
C1	-0.040	0.124	-0.002
O2	-0.470	1.251	0.007
N3	1.271	-0.229	-0.053
O4	-0.828	-0.979	0.002
H5	1.931	0.498	0.140
H6	1.523	-1.172	0.168
H7	-1.729	-0.639	0.009

	C1	O2	N3	O4	H5	H6	H7
C1		1.2066	1.3581	1.3552	2.0112	2.0372	1.8531
O2	1.2066		2.2852	2.2587	2.5195	3.1413	2.2713
N3	1.3581	2.2852		2.2291	1.0008	1.0012	3.0279
O4	1.3552	2.2587	2.2291		3.1322	2.3641	0.9630
H5	2.0112	2.5195	1.0008	3.1322		1.7196	3.8345
H6	2.0372	3.1413	1.0012	2.3641	1.7196		3.2986
H7	1.8531	2.2713	3.0279	0.9630	3.8345	3.2986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.166	C1	N3	H6	118.632
C1	O4	H7	104.875	O2	C1	N3	125.901
O2	C1	O4	123.598	N3	C1	O4	110.480
H5	N3	H6	118.385

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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