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	hartrees
Energy at 0K	-94.550606
Energy at 298.15K	-94.553510
HF Energy	-94.550606
Nuclear repulsion energy	32.788119

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'	3570	3421	17.27	103.08	0.62	0.76
2	A'	3399	3257	16.71	299.59	0.27	0.42
3	A'	2931	2809	121.54	164.23	0.45	0.62
4	A'	1669	1600	9.74	21.83	0.48	0.65
5	A'	1464	1403	8.94	8.95	0.35	0.51
6	A'	1381	1323	16.35	4.47	0.66	0.80
7	A'	1063	1019	24.05	9.05	0.51	0.67
8	A"	1162	1114	11.64	1.05	0.75	0.86
9	A"	783	751	149.07	0.88	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.522
H3	-1.015	1.089
H4	-0.754	-1.141
H5	0.949	-1.022

	C1	N2	H3	H4	H5
C1		1.3100	1.1194	2.0949	2.0151
N2	1.3100		1.9387	1.0250	1.0175
H3	1.1194	1.9387		2.2456	2.8836
H4	2.0949	1.0250	2.2456		1.7075
H5	2.0151	1.0175	2.8836	1.7075

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.154		C1	N2	H5	119.410
N2	C1	H3	105.617		H4	N2	H5	113.436

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.220
2	N	-0.041
3	H	0.034
4	H	0.097
5	H	0.130

	x	y	z	Total
	-1.239	-3.238	0.000	3.467
CHELPG
AIM
ESP

	x	y	z
x	2.843	-0.219	0.000
y	-0.219	3.769	0.000
z	0.000	0.000	1.604

<r²>	19.703
(<r²>)^1/2	4.439

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)