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	hartrees
Energy at 0K	-94.575176
Energy at 298.15K	-94.578090
HF Energy	-94.575176
Nuclear repulsion energy	32.967840

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'	3556	3432	20.00	92.08	0.66	0.80
2	A'	3398	3280	18.03	390.30	0.25	0.40
3	A'	2930	2827	94.52	169.58	0.50	0.67
4	A'	1683	1624	15.06	19.23	0.59	0.74
5	A'	1450	1399	12.57	9.85	0.19	0.32
6	A'	1381	1333	14.67	12.41	0.13	0.23
7	A'	1071	1034	24.56	12.75	0.26	0.42
8	A"	1155	1115	10.44	0.18	0.75	0.86
9	A"	808	780	144.23	0.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.521
H3	-0.999	1.096
H4	-0.758	-1.125
H5	0.943	-1.019

	C1	N2	H3	H4	H5
C1		1.3042	1.1068	2.0767	2.0054
N2	1.3042		1.9347	1.0186	1.0113
H3	1.1068	1.9347		2.2340	2.8713
H4	2.0767	1.0186	2.2340		1.7042
H5	2.0054	1.0113	2.8713	1.7042

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.334		C1	N2	H5	119.479
N2	C1	H3	106.439		H4	N2	H5	114.187

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/aug-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	-0.514
2	N	-0.041
3	H	0.301
4	H	0.096
5	H	0.158

	x	y	z	Total
	-1.332	-3.236	0.000	3.499
CHELPG
AIM
ESP

	x	y	z
x	3.793	0.119	0.000
y	0.119	4.827	0.000
z	0.000	0.000	2.965

<r²>	19.915
(<r²>)^1/2	4.463

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)