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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	-244.605100
Energy at 298.15K
HF Energy	-243.895700
Nuclear repulsion energy	123.974711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3926	3749	84.61
2	A'	3840	3667	68.82
3	A'	3704	3538	64.77
4	A'	1919	1833	562.66
5	A'	1655	1581	150.52
6	A'	1481	1414	127.74
7	A'	1284	1226	235.68
8	A'	1107	1057	33.10
9	A'	992	947	34.12
10	A'	607	579	39.21
11	A'	501	478	4.64
12	A"	803	767	29.91
13	A"	587	561	52.85
14	A"	465	444	82.31
15	A"	379i	362i	248.50

Atom	x (Å)	y (Å)
C1	0.000	0.133
O2	-0.047	1.335
N3	1.128	-0.621
O4	-1.097	-0.662
H5	2.014	-0.153
H6	1.080	-1.622
H7	-1.844	-0.058

	C1	O2	N3	O4	H5	H6	H7
C1		1.2030	1.3573	1.3549	2.0345	2.0609	1.8535
O2	1.2030		2.2820	2.2564	2.5419	3.1645	2.2739
N3	1.3573	2.2820		2.2261	1.0020	1.0021	3.0249
O4	1.3549	2.2564	2.2261		3.1529	2.3797	0.9599
H5	2.0345	2.5419	1.0020	3.1529		1.7411	3.8591
H6	2.0609	3.1645	1.0021	2.3797	1.7411		3.3157
H7	1.8535	2.2739	3.0249	0.9599	3.8591	3.3157

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

using model chemistry: CCD/6-311G**

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	118.381	C1	N3	H6	120.989
C1	O4	H7	105.117	O2	C1	N3	125.973
O2	C1	O4	123.701	N3	C1	O4	110.326
H5	N3	H6	120.630

	hartrees
Energy at 0K	-244.605730
Energy at 298.15K	-244.610705
HF Energy	-243.895419
Nuclear repulsion energy	123.888620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3924	3748	84.59
2	A	3789	3619	47.14
3	A	3667	3503	43.49
4	A	1924	1837	517.98
5	A	1664	1589	122.48
6	A	1479	1412	131.41
7	A	1293	1235	183.54
8	A	1132	1081	81.26
9	A	993	948	31.07
10	A	808	771	59.92
11	A	610	583	55.06
12	A	570	544	80.33
13	A	512	489	26.39
14	A	489	467	143.72
15	A	446	426	151.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.043	0.126	-0.003
O2	-0.470	1.249	0.008
N3	1.276	-0.230	-0.069
O4	-0.827	-0.977	0.003
H5	1.922	0.499	0.180
H6	1.514	-1.164	0.217
H7	-1.729	-0.648	0.005

	C1	O2	N3	O4	H5	H6	H7
C1		1.2015	1.3685	1.3532	2.0092	2.0341	1.8548
O2	1.2015		2.2898	2.2545	2.5131	3.1309	2.2766
N3	1.3685	2.2898		2.2337	1.0052	1.0054	3.0353
O4	1.3532	2.2545	2.2337		3.1258	2.3584	0.9600
H5	2.0092	2.5131	1.0052	3.1258		1.7130	3.8313
H6	2.0341	3.1309	1.0054	2.3584	1.7130		3.2906
H7	1.8548	2.2766	3.0353	0.9600	3.8313	3.2906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.789	C1	N3	H6	117.107
C1	O4	H7	105.342	O2	C1	N3	125.873
O2	C1	O4	123.788	N3	C1	O4	110.305
H5	N3	H6	116.853

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

using model chemistry: CCD/6-311G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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