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	hartrees
Energy at 0K	-94.571578
Energy at 298.15K	-94.574500
HF Energy	-94.571578
Nuclear repulsion energy	32.920890

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'	3589	3433	15.73	91.60	0.62	0.77
2	A'	3424	3275	15.41	286.25	0.28	0.44
3	A'	2931	2804	117.84	158.96	0.48	0.65
4	A'	1706	1632	13.26	21.18	0.44	0.61
5	A'	1462	1398	11.38	7.61	0.36	0.53
6	A'	1400	1340	18.80	3.46	0.60	0.75
7	A'	1081	1034	25.62	9.27	0.53	0.69
8	A"	1171	1121	12.42	1.06	0.75	0.86
9	A"	821	786	172.78	0.72	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.785
N2	0.063	-0.522
H3	-1.005	1.088
H4	-0.754	-1.132
H5	0.944	-1.018

	C1	N2	H3	H4	H5
C1		1.3070	1.1095	2.0836	2.0070
N2	1.3070		1.9312	1.0191	1.0114
H3	1.1095	1.9312		2.2336	2.8690
H4	2.0836	1.0191	2.2336		1.7014
H5	2.0070	1.0114	2.8690	1.7014

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.779		C1	N2	H5	119.379
N2	C1	H3	105.814		H4	N2	H5	113.842

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/6-311G**

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	-0.179
2	N	-0.342
3	H	0.076
4	H	0.206
5	H	0.239

	x	y	z	Total
	-1.298	-3.214	0.000	3.466
CHELPG
AIM
ESP

	x	y	z
x	2.935	-0.156	0.000
y	-0.156	3.925	0.000
z	0.000	0.000	1.800

<r²>	19.683
(<r²>)^1/2	4.437

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)