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	hartrees
Energy at 0K	-94.528949
Energy at 298.15K	-94.531865
HF Energy	-94.528949
Nuclear repulsion energy	32.938373

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'	3594	3442	12.85	94.45	0.59	0.74
2	A'	3441	3295	10.67	242.83	0.25	0.40
3	A'	2927	2803	109.41	119.49	0.43	0.60
4	A'	1694	1622	9.91	22.53	0.45	0.62
5	A'	1463	1401	11.89	8.92	0.33	0.50
6	A'	1399	1340	14.32	5.16	0.69	0.82
7	A'	1072	1026	22.55	8.42	0.52	0.68
8	A"	1166	1117	9.10	1.02	0.75	0.86
9	A"	816	781	146.72	0.87	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.520
H3	-1.010	1.077
H4	-0.747	-1.136
H5	0.943	-1.016

	C1	N2	H3	H4	H5
C1		1.3067	1.1117	2.0858	2.0061
N2	1.3067		1.9246	1.0168	1.0104
H3	1.1117	1.9246		2.2293	2.8634
H4	2.0858	1.0168	2.2293		1.6936
H5	2.0061	1.0104	2.8634	1.6936

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.275		C1	N2	H5	119.403
N2	C1	H3	105.183		H4	N2	H5	113.322

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.277
2	N	-0.358
3	H	0.094
4	H	0.260
5	H	0.282

	x	y	z	Total
	-1.107	-3.193	0.000	3.380
CHELPG
AIM
ESP

	x	y	z
x	2.844	-0.249	0.000
y	-0.249	3.732	0.000
z	0.000	0.000	1.736

<r²>	19.516
(<r²>)^1/2	4.418

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)