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	hartrees
Energy at 0K	-94.552285
Energy at 298.15K	-94.555198
HF Energy	-94.552285
Nuclear repulsion energy	32.775951

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'	3559	3559	20.22	95.22	0.69	0.81
2	A'	3393	3393	17.59	390.35	0.25	0.40
3	A'	2931	2931	102.20	174.23	0.49	0.66
4	A'	1679	1679	15.92	18.61	0.61	0.75
5	A'	1445	1445	12.45	10.61	0.19	0.32
6	A'	1370	1370	15.07	13.33	0.10	0.18
7	A'	1065	1065	24.10	13.24	0.24	0.38
8	A"	1145	1145	10.78	0.21	0.75	0.86
9	A"	808	808	145.19	0.38	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.525
H3	-1.009	1.099
H4	-0.759	-1.132
H5	0.948	-1.023

	C1	N2	H3	H4	H5
C1		1.3125	1.1164	2.0891	2.0152
N2	1.3125		1.9458	1.0227	1.0153
H3	1.1164	1.9458		2.2457	2.8865
H4	2.0891	1.0227	2.2457		1.7106
H5	2.0152	1.0153	2.8865	1.7106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.473		C1	N2	H5	119.382
N2	C1	H3	106.192		H4	N2	H5	114.144

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/daug-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	0.013
2	N	0.242
3	H	-0.258
4	H	0.016
5	H	-0.013

	x	y	z	Total
	-1.318	-3.231	0.000	3.489
CHELPG
AIM
ESP

	x	y	z
x	3.866	0.109	0.000
y	0.109	4.894	0.000
z	0.000	0.000	3.012

<r²>	20.079
(<r²>)^1/2	4.481

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)