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	hartrees
Energy at 0K	-94.480308
Energy at 298.15K	-94.483223
HF Energy	-94.480308
Nuclear repulsion energy	32.813379

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	3448	22.06	95.24	0.69	0.82
2	A'	3419	3290	14.05	371.80	0.24	0.38
3	A'	2948	2836	99.09	172.94	0.50	0.67
4	A'	1685	1622	17.82	17.45	0.62	0.76
5	A'	1456	1401	12.23	10.21	0.21	0.35
6	A'	1375	1323	15.80	9.76	0.14	0.24
7	A'	1068	1028	23.82	11.11	0.30	0.46
8	A"	1150	1107	11.58	0.42	0.75	0.86
9	A"	812	782	149.73	0.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.524
H3	-1.009	1.098
H4	-0.759	-1.129
H5	0.947	-1.021

	C1	N2	H3	H4	H5
C1		1.3108	1.1162	2.0854	2.0127
N2	1.3108		1.9444	1.0214	1.0143
H3	1.1162	1.9444		2.2417	2.8841
H4	2.0854	1.0214	2.2417		1.7100
H5	2.0127	1.0143	2.8841	1.7100

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.356		C1	N2	H5	119.365
N2	C1	H3	106.207		H4	N2	H5	114.279

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: HSEh1PBE/aug-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	-0.006
2	N	0.179
3	H	-0.150
4	H	-0.052
5	H	0.029

	x	y	z	Total
	-1.330	-3.234	0.000	3.497
CHELPG
AIM
ESP

	x	y	z
x	3.779	0.093	0.000
y	0.093	4.805	0.000
z	0.000	0.000	2.897

<r²>	20.079
(<r²>)^1/2	4.481

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)