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	hartrees
Energy at 0K	-94.488652
Energy at 298.15K	-94.491565
HF Energy	-94.378041
Nuclear repulsion energy	32.834716

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'	3601	3439	16.46	85.93	0.60	0.75
2	A'	3448	3293	5.67	220.46	0.24	0.39
3	A'	2954	2821	104.56	115.71	0.42	0.60
4	A'	1699	1623	10.21	20.13	0.45	0.62
5	A'	1443	1378	16.36	11.36	0.41	0.58
6	A'	1408	1344	9.42	3.91	0.41	0.58
7	A'	1076	1027	21.92	7.61	0.52	0.69
8	A"	1172	1119	9.57	0.93	0.75	0.86
9	A"	803	767	150.45	0.67	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.790
N2	0.063	-0.524
H3	-1.008	1.083
H4	-0.749	-1.137
H5	0.943	-1.020

	C1	N2	H3	H4	H5
C1		1.3136	1.1096	2.0906	2.0126
N2	1.3136		1.9305	1.0173	1.0109
H3	1.1096	1.9305		2.2345	2.8684
H4	2.0906	1.0173	2.2345		1.6969
H5	2.0126	1.0109	2.8684	1.6969

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.039		C1	N2	H5	119.385
N2	C1	H3	105.320		H4	N2	H5	113.576

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/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	-0.286
2	N	-0.350
3	H	0.095
4	H	0.260
5	H	0.281

	x	y	z	Total
	-1.138	-3.202	0.000	3.398
CHELPG
AIM
ESP

	x	y	z
x	2.805	-0.253	0.000
y	-0.253	3.722	0.000
z	0.000	0.000	1.729

<r²>	19.658
(<r²>)^1/2	4.434

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)