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	hartrees
Energy at 0K	-94.455038
Energy at 298.15K	-94.457947
HF Energy	-94.363319
Nuclear repulsion energy	32.719959

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'	3586	3404	12.04	96.71	0.58	0.73
2	A'	3415	3242	14.02	263.99	0.27	0.42
3	A'	2950	2800	136.03	124.34	0.45	0.62
4	A'	1738	1650	8.84	25.37	0.44	0.61
5	A'	1451	1377	19.74	10.99	0.57	0.73
6	A'	1421	1349	12.47	4.58	0.34	0.51
7	A'	1087	1032	23.78	10.16	0.55	0.71
8	A"	1174	1115	10.38	1.17	0.75	0.86
9	A"	797	756	199.92	0.78	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.793
N2	0.062	-0.525
H3	-1.009	1.084
H4	-0.749	-1.148
H5	0.948	-1.020

	C1	N2	H3	H4	H5
C1		1.3183	1.1104	2.1038	2.0179
N2	1.3183		1.9331	1.0227	1.0147
H3	1.1104	1.9331		2.2468	2.8736
H4	2.1038	1.0227	2.2468		1.7020
H5	2.0179	1.0147	2.8736	1.7020

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.510		C1	N2	H5	119.179
N2	C1	H3	105.169		H4	N2	H5	113.311

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/6-31G*

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	-0.136
2	N	-0.641
3	H	0.091
4	H	0.328
5	H	0.358

	x	y	z	Total
	-1.184	-3.221	0.000	3.432
CHELPG
AIM
ESP

	x	y	z
x	2.700	-0.251	0.000
y	-0.251	3.659	-0.000
z	0.000	-0.000	1.403

<r²>	19.754
(<r²>)^1/2	4.445

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)