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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	-244.153979
Energy at 298.15K	-244.158843
HF Energy	-243.701773
Nuclear repulsion energy	120.641219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3796	3606	66.46
2	A'	3657	3475	38.86
3	A'	3649	3467	93.92
4	A'	1784	1695	446.24
5	A'	1694	1610	67.46
6	A'	1447	1375	152.01
7	A'	1228	1166	174.03
8	A'	1103	1048	70.37
9	A'	904	858	82.08
10	A'	567	539	29.76
11	A'	484	460	9.50
12	A"	716	680	73.67
13	A"	590	561	145.42
14	A"	482	458	106.08
15	A"	459	436	356.57

Atom	x (Å)	y (Å)
C1	0.000	0.138
O2	-0.218	1.371
N3	1.217	-0.485
O4	-1.027	-0.827
H5	2.054	0.075
H6	1.278	-1.491
H7	-1.892	-0.363

	C1	O2	N3	O4	H5	H6	H7
C1		1.2520	1.3670	1.4093	2.0552	2.0703	1.9568
O2	1.2520		2.3456	2.3421	2.6152	3.2290	2.4099
N3	1.3670	2.3456		2.2698	1.0076	1.0079	3.1108
O4	1.4093	2.3421	2.2698		3.2107	2.3986	0.9812
H5	2.0552	2.6152	1.0076	3.2107		1.7484	3.9701
H6	2.0703	3.2290	1.0079	2.3986	1.7484		3.3641
H7	1.9568	2.4099	3.1108	0.9812	3.9701	3.3641

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

using model chemistry: MP2=FULL/6-31G

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	119.096	C1	N3	H6	120.572
C1	O4	H7	108.560	O2	C1	N3	127.123
O2	C1	O4	123.199	N3	C1	O4	109.678
H5	N3	H6	120.332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3796	3606	66.41
2	A	3658	3476	40.46
3	A	3650	3467	92.19
4	A	1786	1697	446.34
5	A	1695	1610	67.45
6	A	1446	1374	151.48
7	A	1227	1166	173.28
8	A	1103	1048	70.47
9	A	902	857	83.43
10	A	716	680	73.26
11	A	590	560	145.50
12	A	566	538	29.62
13	A	484	459	9.51
14	A	481	457	110.56
15	A	460	437	352.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.025	0.136	-0.000
O2	0.468	1.307	0.000
N3	-1.286	-0.251	-0.000
O4	0.856	-1.004	-0.000
H5	-2.005	0.454	0.000
H6	-1.532	-1.228	0.000
H7	1.792	-0.708	0.000

	C1	O2	N3	O4	H5	H6	H7
C1		1.2515	1.3670	1.4102	2.0555	2.0703	1.9577
O2	1.2515		2.3455	2.3425	2.6161	3.2288	2.4107
N3	1.3670	2.3455		2.2701	1.0077	1.0079	3.1111
O4	1.4102	2.3425	2.2701		3.2114	2.3983	0.9811
H5	2.0555	2.6161	1.0077	3.2114		1.7481	3.9710
H6	2.0703	3.2288	1.0079	2.3983	1.7481		3.3638
H7	1.9577	2.4107	3.1111	0.9811	3.9710	3.3638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.133	C1	N3	H6	120.572
C1	O4	H7	108.571	O2	C1	N3	127.158
O2	C1	O4	123.196	N3	C1	O4	109.646
H5	N3	H6	120.295

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

using model chemistry: MP2=FULL/6-31G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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