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	hartrees
Energy at 0K	-94.532833
Energy at 298.15K	-94.535744
HF Energy	-94.412168
Nuclear repulsion energy	32.921626

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'	3583	3583	27.29	81.49	0.67	0.81
2	A'	3430	3430	6.77	335.65	0.22	0.37
3	A'	2959	2959	93.24	165.29	0.47	0.64
4	A'	1695	1695	17.23	15.14	0.62	0.76
5	A'	1436	1436	17.41	16.17	0.12	0.22
6	A'	1394	1394	11.49	8.02	0.14	0.25
7	A'	1077	1077	22.06	10.61	0.22	0.37
8	A"	1162	1162	10.34	0.13	0.75	0.86
9	A"	804	804	147.07	0.21	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.524
H3	-0.995	1.097
H4	-0.759	-1.122
H5	0.941	-1.020

	C1	N2	H3	H4	H5
C1		1.3096	1.1028	2.0767	2.0084
N2	1.3096		1.9354	1.0161	1.0093
H3	1.1028	1.9354		2.2306	2.8692
H4	2.0767	1.0161	2.2306		1.7038
H5	2.0084	1.0093	2.8692	1.7038

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.017		C1	N2	H5	119.448
N2	C1	H3	106.377		H4	N2	H5	114.535

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/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	-1.253
2	N	-0.371
3	H	0.652
4	H	0.348
5	H	0.623

	x	y	z	Total
	-1.351	-3.242	0.000	3.513
CHELPG
AIM
ESP

	x	y	z
x	3.804	0.096	0.002
y	0.096	4.818	0.002
z	0.002	0.002	3.044

<r²>	20.061
(<r²>)^1/2	4.479

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)