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	hartrees
Energy at 0K	-94.554083
Energy at 298.15K	-94.556975
HF Energy	-94.554083
Nuclear repulsion energy	32.468431

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'	3414	3414	14.07	109.37	0.69	0.82
2	A'	3200	3200	68.46	699.35	0.30	0.46
3	A'	2826	2826	113.13	217.00	0.60	0.75
4	A'	1631	1631	6.81	32.18	0.57	0.72
5	A'	1384	1384	12.91	15.31	0.11	0.20
6	A'	1324	1324	9.67	33.18	0.21	0.34
7	A'	1036	1036	29.16	29.11	0.25	0.40
8	A"	1114	1114	10.42	0.25	0.75	0.86
9	A"	788	788	134.22	1.01	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.796
N2	0.063	-0.529
H3	-1.016	1.109
H4	-0.763	-1.152
H5	0.956	-1.031

	C1	N2	H3	H4	H5
C1		1.3248	1.1239	2.1161	2.0334
N2	1.3248		1.9616	1.0351	1.0241
H3	1.1239	1.9616		2.2752	2.9101
H4	2.1161	1.0351	2.2752		1.7234
H5	2.0334	1.0241	2.9101	1.7234

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.017		C1	N2	H5	119.362
N2	C1	H3	106.176		H4	N2	H5	113.622

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: BLYP/daug-cc-pVDZ

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	0.147
2	N	0.391
3	H	-0.408
4	H	-0.063
5	H	-0.067

	x	y	z	Total
	-1.249	-3.182	0.000	3.419
CHELPG
AIM
ESP

	x	y	z
x	4.234	0.257	0.000
y	0.257	5.487	0.000
z	0.000	0.000	3.218

<r²>	20.535
(<r²>)^1/2	4.532

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: BLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)