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	hartrees
Energy at 0K	-94.623699
Energy at 298.15K	-94.626613
HF Energy	-94.623699
Nuclear repulsion energy	32.955448

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'	3536	3426	20.35	92.66	0.67	0.80
2	A'	3376	3271	20.60	422.38	0.26	0.41
3	A'	2926	2835	94.95	175.89	0.51	0.68
4	A'	1689	1636	14.51	20.57	0.58	0.73
5	A'	1437	1393	15.00	10.73	0.17	0.29
6	A'	1384	1341	12.26	15.38	0.15	0.26
7	A'	1076	1042	24.77	14.73	0.24	0.39
8	A"	1154	1118	10.30	0.15	0.75	0.86
9	A"	808	783	144.19	0.44	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.783
N2	0.062	-0.522
H3	-0.995	1.102
H4	-0.759	-1.125
H5	0.941	-1.022

	C1	N2	H3	H4	H5
C1		1.3053	1.1041	2.0773	2.0079
N2	1.3053		1.9380	1.0186	1.0109
H3	1.1041	1.9380		2.2396	2.8740
H4	2.0773	1.0186	2.2396		1.7028
H5	2.0079	1.0109	2.8740	1.7028

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.282		C1	N2	H5	119.650
N2	C1	H3	106.796		H4	N2	H5	114.068

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.369
2	N	-0.477
3	H	0.223
4	H	0.290
5	H	0.333

	x	y	z	Total
	-1.336	-3.201	0.000	3.468
CHELPG
AIM
ESP

	x	y	z
x	3.864	0.142	0.000
y	0.142	4.925	0.000
z	0.000	0.000	3.043

<r²>	20.035
(<r²>)^1/2	4.476

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)