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	hartrees
Energy at 0K	-94.591600
Energy at 298.15K	-94.594511
HF Energy	-94.591600
Nuclear repulsion energy	32.726520

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'	3543	3438	20.74	97.03	0.69	0.82
2	A'	3374	3274	18.75	409.62	0.25	0.40
3	A'	2924	2837	100.88	181.53	0.53	0.69
4	A'	1681	1632	15.68	19.55	0.60	0.75
5	A'	1430	1388	14.99	11.21	0.19	0.31
6	A'	1372	1331	13.04	10.78	0.18	0.30
7	A'	1067	1035	24.02	12.70	0.30	0.47
8	A"	1142	1109	11.49	0.43	0.75	0.86
9	A"	806	782	149.30	0.48	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.526
H3	-1.008	1.104
H4	-0.761	-1.133
H5	0.948	-1.025

	C1	N2	H3	H4	H5
C1		1.3153	1.1160	2.0916	2.0188
N2	1.3153		1.9500	1.0236	1.0158
H3	1.1160	1.9500		2.2504	2.8907
H4	2.0916	1.0236	2.2504		1.7120
H5	2.0188	1.0158	2.8907	1.7120

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.382		C1	N2	H5	119.449
N2	C1	H3	106.363		H4	N2	H5	114.169

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/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	0.065
2	N	0.319
3	H	-0.255
4	H	-0.106
5	H	-0.023

	x	y	z	Total
	-1.321	-3.196	0.000	3.459
CHELPG
AIM
ESP

	x	y	z
x	3.844	0.110	0.000
y	0.110	4.909	0.000
z	0.000	0.000	2.936

<r²>	20.230
(<r²>)^1/2	4.498

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)