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	hartrees
Energy at 0K	-94.457316
Energy at 298.15K
HF Energy	-94.363328
Nuclear repulsion energy	32.727188

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'	3586	3402	12.00	96.79	0.57	0.73
2	A'	3415	3240	14.14	264.43	0.27	0.42
3	A'	2951	2799	135.70	124.29	0.45	0.62
4	A'	1738	1649	8.82	25.41	0.44	0.61
5	A'	1452	1377	19.37	10.90	0.57	0.72
6	A'	1421	1348	12.75	4.64	0.36	0.53
7	A'	1087	1031	23.84	10.18	0.55	0.71
8	A"	1175	1115	10.38	1.17	0.75	0.86
9	A"	797	757	199.78	0.78	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.793
N2	0.062	-0.525
H3	-1.009	1.084
H4	-0.749	-1.148
H5	0.948	-1.020

	C1	N2	H3	H4	H5
C1		1.3179	1.1102	2.1033	2.0176
N2	1.3179		1.9329	1.0227	1.0147
H3	1.1102	1.9329		2.2466	2.8733
H4	2.1033	1.0227	2.2466		1.7019
H5	2.0176	1.0147	2.8733	1.7019

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.511		C1	N2	H5	119.185
N2	C1	H3	105.190		H4	N2	H5	113.304

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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	-0.136
2	N	-0.640
3	H	0.091
4	H	0.328
5	H	0.358

	x	y	z	Total
	-1.185	-3.222	0.000	3.433
CHELPG
AIM
ESP

	x	y	z
x	2.699	-0.251	0.000
y	-0.251	3.658	-0.000
z	0.000	-0.000	1.403

<r²>	19.748
(<r²>)^1/2	4.444

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)