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	hartrees
Energy at 0K	-94.562270
Energy at 298.15K	-94.565188
HF Energy	-94.562270
Nuclear repulsion energy	32.866799

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'	3558	3427	14.04	93.83	0.61	0.76
2	A'	3386	3261	20.86	313.24	0.29	0.45
3	A'	2909	2802	118.65	162.76	0.49	0.65
4	A'	1695	1633	11.34	23.28	0.43	0.61
5	A'	1451	1397	11.26	7.58	0.40	0.57
6	A'	1391	1340	17.98	3.13	0.59	0.74
7	A'	1075	1036	26.48	10.37	0.52	0.69
8	A"	1165	1122	12.56	1.04	0.75	0.86
9	A"	817	787	170.60	0.78	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.522
H3	-1.007	1.089
H4	-0.754	-1.136
H5	0.946	-1.019

	C1	N2	H3	H4	H5
C1		1.3087	1.1113	2.0886	2.0102
N2	1.3087		1.9337	1.0216	1.0134
H3	1.1113	1.9337		2.2390	2.8735
H4	2.0886	1.0216	2.2390		1.7039
H5	2.0102	1.0134	2.8735	1.7039

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.912		C1	N2	H5	119.377
N2	C1	H3	105.789		H4	N2	H5	113.711

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/6-311G**

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	-0.184
2	N	-0.338
3	H	0.077
4	H	0.205
5	H	0.240

	x	y	z	Total
	-1.289	-3.219	0.000	3.467
CHELPG
AIM
ESP

	x	y	z
x	2.958	-0.149	0.000
y	-0.149	3.970	0.000
z	0.000	0.000	1.804

<r²>	19.728
(<r²>)^1/2	4.442

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)