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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	-244.985417
Energy at 298.15K
HF Energy	-244.985417
Nuclear repulsion energy	122.703025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3676	3635	71.79
2	A'	3674	3633	61.23
3	A'	3542	3502	45.39
4	A'	1767	1747	504.31
5	A'	1559	1542	102.20
6	A'	1375	1360	122.53
7	A'	1186	1172	184.17
8	A'	1038	1026	38.68
9	A'	914	904	57.44
10	A'	561	555	28.05
11	A'	470	465	7.18
12	A"	749	741	14.27
13	A"	578	571	54.10
14	A"	466	460	58.57
15	A"	136i	135i	191.04

Atom	x (Å)	y (Å)
C1	0.000	0.131
O2	-0.080	1.349
N3	1.152	-0.592
O4	-1.092	-0.703
H5	2.030	-0.094
H6	1.140	-1.603
H7	-1.861	-0.105

	C1	O2	N3	O4	H5	H6	H7
C1		1.2200	1.3604	1.3743	2.0421	2.0751	1.8760
O2	1.2200		2.2989	2.2881	2.5556	3.1935	2.2990
N3	1.3604	2.2989		2.2465	1.0093	1.0103	3.0523
O4	1.3743	2.2881	2.2465		3.1803	2.4061	0.9749
H5	2.0421	2.5556	1.0093	3.1803		1.7513	3.8908
H6	2.0751	3.1935	1.0103	2.4061	1.7513		3.3542
H7	1.8760	2.2990	3.0523	0.9749	3.8908	3.3542

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH2COOH (Carbamic acid)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

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