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	hartrees
Energy at 0K	-94.620988
Energy at 298.15K	-94.623899
HF Energy	-94.620988
Nuclear repulsion energy	32.874019

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'	3525	3525	17.70	93.41	0.66	0.80
2	A'	3356	3356	24.65	429.17	0.26	0.41
3	A'	2908	2908	106.15	177.41	0.52	0.68
4	A'	1690	1690	12.30	20.58	0.58	0.74
5	A'	1429	1429	18.09	14.23	0.11	0.21
6	A'	1384	1384	10.57	11.97	0.21	0.35
7	A'	1064	1064	24.62	14.56	0.25	0.41
8	A"	1158	1158	10.08	0.17	0.75	0.86
9	A"	807	807	143.48	0.48	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.523
H3	-1.001	1.096
H4	-0.758	-1.131
H5	0.944	-1.021

	C1	N2	H3	H4	H5
C1		1.3093	1.1074	2.0850	2.0108
N2	1.3093		1.9368	1.0207	1.0126
H3	1.1074	1.9368		2.2396	2.8746
H4	2.0850	1.0207	2.2396		1.7054
H5	2.0108	1.0126	2.8746	1.7054

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.532		C1	N2	H5	119.450
N2	C1	H3	106.227		H4	N2	H5	114.019

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/aug-cc-pVQZ

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	-0.523
2	N	-0.460
3	H	0.307
4	H	0.318
5	H	0.359

	x	y	z	Total
	-1.304	-3.227	0.000	3.480
CHELPG
AIM
ESP

	x	y	z
x	3.868	0.139	0.000
y	0.139	4.933	0.000
z	0.000	0.000	3.001

<r²>	20.007
(<r²>)^1/2	4.473

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/aug-cc-pVQZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)