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	hartrees
Energy at 0K	-94.582164
Energy at 298.15K	-94.585083
HF Energy	-94.582164
Nuclear repulsion energy	33.011949

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'	3584	3438	17.51	90.66	0.62	0.77
2	A'	3429	3289	14.40	289.73	0.25	0.40
3	A'	2940	2820	105.27	156.67	0.46	0.63
4	A'	1694	1625	14.17	19.94	0.47	0.64
5	A'	1463	1403	10.75	7.99	0.28	0.44
6	A'	1393	1336	16.24	1.74	0.75	0.85
7	A'	1077	1033	24.98	8.42	0.44	0.61
8	A"	1167	1120	12.12	1.24	0.75	0.86
9	A"	812	779	149.07	0.50	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.520
H3	-0.999	1.093
H4	-0.755	-1.125
H5	0.941	-1.018

	C1	N2	H3	H4	H5
C1		1.3026	1.1064	2.0747	2.0027
N2	1.3026		1.9312	1.0166	1.0096
H3	1.1064	1.9312		2.2307	2.8669
H4	2.0747	1.0166	2.2307		1.6997
H5	2.0027	1.0096	2.8669	1.6997

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.465		C1	N2	H5	119.493
N2	C1	H3	106.297		H4	N2	H5	114.042

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/cc-pVTZ

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	-0.279
2	N	-0.086
3	H	0.056
4	H	0.140
5	H	0.169

	x	y	z	Total
	-1.304	-3.227	0.000	3.481
CHELPG
AIM
ESP

	x	y	z
x	3.222	-0.093	0.000
y	-0.093	4.163	0.000
z	0.000	0.000	2.158

<r²>	19.700
(<r²>)^1/2	4.438

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)