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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	-244.575005
Energy at 298.15K
HF Energy	-243.882497
Nuclear repulsion energy	123.986118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3877	3703	62.38
2	A'	3835	3663	58.12
3	A'	3702	3536	59.04
4	A'	1921	1835	587.74
5	A'	1695	1619	140.83
6	A'	1494	1427	134.08
7	A'	1298	1240	250.50
8	A'	1122	1072	37.79
9	A'	995	950	32.21
10	A'	608	581	40.60
11	A'	503	480	6.00
12	A"	811	775	37.18
13	A"	609	582	76.78
14	A"	493	471	81.27
15	A"	350i	334i	292.90

Atom	x (Å)	y (Å)
C1	0.000	0.132
O2	-0.060	1.335
N3	1.134	-0.610
O4	-1.090	-0.671
H5	2.016	-0.136
H6	1.099	-1.611
H7	-1.852	-0.087

	C1	O2	N3	O4	H5	H6	H7
C1		1.2041	1.3553	1.3539	2.0337	2.0609	1.8653
O2	1.2041		2.2822	2.2548	2.5443	3.1658	2.2877
N3	1.3553	2.2822		2.2244	1.0014	1.0015	3.0316
O4	1.3539	2.2548	2.2244		3.1514	2.3821	0.9607
H5	2.0337	2.5443	1.0014	3.1514		1.7367	3.8685
H6	2.0609	3.1658	1.0015	2.3821	1.7367		3.3217
H7	1.8653	2.2877	3.0316	0.9607	3.8685	3.3217

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	118.530	C1	N3	H6	121.228
C1	O4	H7	106.140	O2	C1	N3	126.078
O2	C1	O4	123.540	N3	C1	O4	110.382
H5	N3	H6	120.243

	hartrees
Energy at 0K	-244.575470
Energy at 298.15K	-244.580456
HF Energy	-243.882316
Nuclear repulsion energy	123.904633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3876	3702	62.64
2	A	3793	3623	41.99
3	A	3671	3506	41.58
4	A	1925	1839	545.85
5	A	1707	1630	120.46
6	A	1491	1424	134.62
7	A	1306	1248	198.96
8	A	1145	1093	84.32
9	A	995	950	30.36
10	A	815	778	65.52
11	A	613	585	64.73
12	A	594	567	91.34
13	A	519	496	22.94
14	A	480	459	56.01
15	A	448	428	284.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.042	0.126	-0.003
O2	-0.470	1.249	0.008
N3	1.275	-0.231	-0.063
O4	-0.828	-0.975	0.003
H5	1.928	0.496	0.167
H6	1.519	-1.169	0.198
H7	-1.735	-0.660	0.004

	C1	O2	N3	O4	H5	H6	H7
C1		1.2026	1.3650	1.3529	2.0115	2.0377	1.8670
O2	1.2026		2.2889	2.2532	2.5186	3.1369	2.2904
N3	1.3650	2.2889		2.2317	1.0040	1.0043	3.0413
O4	1.3529	2.2532	2.2317		3.1285	2.3631	0.9607
H5	2.0115	2.5186	1.0040	3.1285		1.7149	3.8450
H6	2.0377	3.1369	1.0043	2.3631	1.7149		3.2998
H7	1.8670	2.2904	3.0413	0.9607	3.8450	3.2998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.373	C1	N3	H6	117.831
C1	O4	H7	106.369	O2	C1	N3	125.990
O2	C1	O4	123.592	N3	C1	O4	110.390
H5	N3	H6	117.266

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)