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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	-244.758447
Energy at 298.15K
HF Energy	-243.923929
Nuclear repulsion energy	123.669246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3822	3629	116.21
2	A'	3821	3628	62.89
3	A'	3673	3487	71.07
4	A'	1861	1767	493.87
5	A'	1622	1540	127.27
6	A'	1445	1372	135.18
7	A'	1234	1172	193.02
8	A'	1081	1027	37.92
9	A'	964	915	45.88
10	A'	586	557	33.61
11	A'	489	464	6.01
12	A"	789	749	18.76
13	A"	598	567	56.63
14	A"	483	458	61.95
15	A"	246i	234i	216.58

Atom	x (Å)	y (Å)
C1	0.000	0.131
O2	-0.072	1.341
N3	1.139	-0.600
O4	-1.085	-0.689
H5	2.014	-0.114
H6	1.109	-1.599
H7	-1.841	-0.089

	C1	O2	N3	O4	H5	H6	H7
C1		1.2113	1.3538	1.3608	2.0286	2.0556	1.8544
O2	1.2113		2.2873	2.2690	2.5426	3.1683	2.2746
N3	1.3538	2.2873		2.2267	1.0001	1.0002	3.0243
O4	1.3608	2.2690	2.2267		3.1521	2.3756	0.9655
H5	2.0286	2.5426	1.0001	3.1521		1.7394	3.8551
H6	2.0556	3.1683	1.0002	2.3756	1.7394		3.3146
H7	1.8544	2.2746	3.0243	0.9655	3.8551	3.3146

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

using model chemistry: MP2/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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.257	C1	N3	H6	120.935
C1	O4	H7	104.427	O2	C1	N3	126.080
O2	C1	O4	123.699	N3	C1	O4	110.220
H5	N3	H6	120.808

	hartrees
Energy at 0K	-244.758618
Energy at 298.15K	-244.763437
HF Energy	-243.923838
Nuclear repulsion energy	123.613981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3821	3628	97.71
2	A	3790	3599	69.03
3	A	3651	3466	57.78
4	A	1861	1767	469.48
5	A	1628	1546	111.46
6	A	1444	1371	138.84
7	A	1238	1176	163.40
8	A	1094	1039	67.98
9	A	966	917	43.98
10	A	788	749	27.41
11	A	592	562	57.39
12	A	580	551	53.13
13	A	500	475	22.80
14	A	468	445	25.17
15	A	338	321	249.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	0.125	-0.002
O2	-0.479	1.254	0.006
N3	1.273	-0.223	-0.054
O4	-0.821	-0.989	0.002
H5	1.931	0.508	0.142
H6	1.529	-1.166	0.169
H7	-1.726	-0.651	0.008

	C1	O2	N3	O4	H5	H6	H7
C1		1.2104	1.3604	1.3600	2.0133	2.0399	1.8557
O2	1.2104		2.2919	2.2682	2.5256	3.1485	2.2772
N3	1.3604	2.2919		2.2309	1.0022	1.0024	3.0305
O4	1.3600	2.2682	2.2309		3.1356	2.3631	0.9655
H5	2.0133	2.5256	1.0022	3.1356		1.7218	3.8385
H6	2.0399	3.1485	1.0024	2.3631	1.7218		3.2996
H7	1.8557	2.2772	3.0305	0.9655	3.8385	3.2996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.071	C1	N3	H6	118.608
C1	O4	H7	104.596	O2	C1	N3	126.030
O2	C1	O4	123.763	N3	C1	O4	110.182
H5	N3	H6	118.399

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

using model chemistry: MP2/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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