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	hartrees
Energy at 0K	-94.581872
Energy at 298.15K	-94.584791
HF Energy	-94.581872
Nuclear repulsion energy	33.018359

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'	3593	3593	23.36	74.16	0.68	0.81
2	A'	3441	3441	11.71	303.77	0.24	0.39
3	A'	2949	2949	89.44	144.76	0.53	0.69
4	A'	1695	1695	17.80	16.73	0.63	0.77
5	A'	1462	1462	13.04	10.49	0.20	0.33
6	A'	1388	1388	17.02	6.45	0.17	0.29
7	A'	1075	1075	23.55	8.48	0.35	0.52
8	A"	1162	1162	10.43	0.31	0.75	0.86
9	A"	816	816	148.76	0.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.521
H3	-0.997	1.096
H4	-0.757	-1.123
H5	0.941	-1.019

	C1	N2	H3	H4	H5
C1		1.3021	1.1053	2.0729	2.0035
N2	1.3021		1.9331	1.0167	1.0098
H3	1.1053	1.9331		2.2319	2.8688
H4	2.0729	1.0167	2.2319		1.7005
H5	2.0035	1.0098	2.8688	1.7005

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.308		C1	N2	H5	119.597
N2	C1	H3	106.546		H4	N2	H5	114.095

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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	-0.033
2	N	-0.388
3	H	0.111
4	H	0.144
5	H	0.167

	x	y	z	Total
	-1.373	-3.255	0.000	3.532
CHELPG
AIM
ESP

	x	y	z
x	3.555	0.088	0.000
y	0.088	4.659	0.000
z	0.000	0.000	2.820

<r²>	19.882
(<r²>)^1/2	4.459

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)