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	hartrees
Energy at 0K	-169.869252
Energy at 298.15K
HF Energy	-169.869252
Nuclear repulsion energy	70.970274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3654	3654	29.63	63.56	0.68	0.81
2	A'	3513	3513	20.08	182.11	0.08	0.14
3	A'	2863	2863	115.85	168.48	0.30	0.46
4	A'	1743	1743	394.94	17.70	0.29	0.45
5	A'	1585	1585	47.56	4.97	0.56	0.72
6	A'	1383	1383	5.70	5.76	0.43	0.60
7	A'	1233	1233	99.27	8.08	0.41	0.58
8	A'	1024	1024	5.11	7.17	0.43	0.60
9	A'	554	554	9.35	1.07	0.27	0.43
10	A"	1004	1004	3.88	2.40	0.75	0.86
11	A"	634	634	10.65	0.05	0.75	0.86
12	A"	218	218	188.68	0.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.203	0.236
N3	-0.941	-0.566
H4	-0.457	1.433
H5	-0.651	-1.532
H6	-1.925	-0.348

	C1	O2	N3	H4	H5	H6
C1		1.2169	1.3630	1.1109	2.0585	2.0726
O2	1.2169		2.2890	2.0465	2.5623	3.1817
N3	1.3630	2.2890		2.0560	1.0094	1.0071
H4	1.1109	2.0465	2.0560		2.9715	2.3077
H5	2.0585	2.5623	1.0094	2.9715		1.7388
H6	2.0726	3.1817	1.0071	2.3077	1.7388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.631	C1	N3	H6	121.229
O2	C1	N3	124.967	O2	C1	H4	123.019
N3	C1	H4	112.014	H5	N3	H6	119.140

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.193
2	O	-1.052
3	N	-0.343
4	H	0.871
5	H	0.220
6	H	0.111

	x	y	z	Total
	-3.784	-0.734	0.000	3.854
CHELPG
AIM
ESP

	x	y	z
x	5.574	0.341	0.000
y	0.341	4.564	0.000
z	0.000	0.000	3.140

<r²>	41.357
(<r²>)^1/2	6.431

All results from a given calculation for CHONH2 (formamide)

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHONH₂ (formamide)