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	hartrees
Energy at 0K	-94.585228
Energy at 298.15K	-94.588141
HF Energy	-94.585228
Nuclear repulsion energy	32.735607

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'	3569	3436	27.03	65.80	0.70	0.82
2	A'	3389	3262	14.96	335.94	0.27	0.42
3	A'	2929	2820	114.15	152.02	0.64	0.78
4	A'	1704	1641	12.90	21.73	0.63	0.77
5	A'	1434	1380	23.91	14.50	0.31	0.48
6	A'	1392	1340	33.41	2.73	0.42	0.60
7	A'	1078	1038	23.88	7.90	0.57	0.73
8	A"	1153	1110	11.59	0.83	0.75	0.86
9	A"	816	786	185.25	0.14	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.791
N2	0.063	-0.525
H3	-1.006	1.093
H4	-0.755	-1.141
H5	0.948	-1.022

	C1	N2	H3	H4	H5
C1		1.3168	1.1100	2.0981	2.0178
N2	1.3168		1.9394	1.0233	1.0148
H3	1.1100	1.9394		2.2484	2.8791
H4	2.0981	1.0233	2.2484		1.7065
H5	2.0178	1.0148	2.8791	1.7065

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.987		C1	N2	H5	119.296
N2	C1	H3	105.789		H4	N2	H5	113.717

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.197
2	N	-0.484
3	H	0.079
4	H	0.281
5	H	0.321

	x	y	z	Total
	-1.488	-3.352	0.000	3.668
CHELPG
AIM
ESP

	x	y	z
x	3.305	0.046	0.000
y	0.046	4.586	0.000
z	0.000	0.000	2.454

<r²>	20.233
(<r²>)^1/2	4.498

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)