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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	-244.826427
Energy at 298.15K	-244.821708
HF Energy	-243.818178
Nuclear repulsion energy	125.416600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4103	4103	118.73
2	A'	4008	4008	85.57
3	A'	3876	3876	70.45
4	A'	2014	2014	717.11
5	A'	1796	1796	158.43
6	A'	1580	1580	193.89
7	A'	1374	1374	234.66
8	A'	1194	1194	46.96
9	A'	1064	1064	20.71
10	A'	649	649	49.33
11	A'	532	532	6.68
12	A"	890	890	99.29
13	A"	639	639	88.38
14	A"	552	552	76.86
15	A"	40i	40i	337.24

Atom	x (Å)	y (Å)
C1	0.000	0.127
O2	-0.046	1.316
N3	1.120	-0.618
O4	-1.088	-0.642
H5	1.995	-0.152
H6	1.076	-1.607
H7	-1.844	-0.075

	C1	O2	N3	O4	H5	H6	H7
C1		1.1902	1.3454	1.3321	2.0142	2.0410	1.8555
O2	1.1902		2.2586	2.2181	2.5141	3.1315	2.2738
N3	1.3454	2.2586		2.2085	0.9904	0.9906	3.0143
O4	1.3321	2.2181	2.2085		3.1212	2.3696	0.9454
H5	2.0142	2.5141	0.9904	3.1212		1.7208	3.8400
H6	2.0410	3.1315	0.9906	2.3696	1.7208		3.2982
H7	1.8555	2.2738	3.0143	0.9454	3.8400	3.2982

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

using model chemistry: CBS-Q

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	118.353	C1	N3	H6	121.039
C1	O4	H7	107.911	O2	C1	N3	125.817
O2	C1	O4	123.038	N3	C1	O4	111.145
H5	N3	H6	120.608

	hartrees
Energy at 0K	-244.826321
Energy at 298.15K	-244.831130
HF Energy	-243.818178
Nuclear repulsion energy	125.405512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4099	4099	118.85
2	A	4007	4007	85.29
3	A	3875	3875	70.25
4	A	2014	2014	716.28
5	A	1796	1796	157.53
6	A	1580	1580	193.62
7	A	1375	1375	235.06
8	A	1194	1194	47.42
9	A	1063	1063	20.77
10	A	890	890	99.86
11	A	650	650	50.01
12	A	640	640	91.27
13	A	554	554	72.41
14	A	532	532	7.26
15	A	52	52	337.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	0.120	-0.003
O2	-0.465	1.232	0.005
N3	1.261	-0.226	-0.031
O4	-0.825	-0.956	0.002
H5	1.933	0.493	0.082
H6	1.532	-1.171	0.099
H7	-1.723	-0.662	0.003

	C1	O2	N3	O4	H5	H6	H7
C1		1.1899	1.3472	1.3318	2.0107	2.0372	1.8553
O2	1.1899		2.2597	2.2175	2.5106	3.1257	2.2734
N3	1.3472	2.2597		2.2100	0.9912	0.9914	3.0159
O4	1.3318	2.2175	2.2100		3.1167	2.3684	0.9454
H5	2.0107	2.5106	0.9912	3.1167		1.7119	3.8353
H6	2.0372	3.1257	0.9914	2.3684	1.7119		3.2960
H7	1.8553	2.2734	3.0159	0.9454	3.8353	3.2960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.792	C1	N3	H6	120.421
C1	O4	H7	107.920	O2	C1	N3	125.800
O2	C1	O4	123.032	N3	C1	O4	111.166
H5	N3	H6	119.418

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

using model chemistry: CBS-Q

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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