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	hartrees
Energy at 0K	-94.489822
Energy at 298.15K	-94.492718
HF Energy	-94.489822
Nuclear repulsion energy	32.725659

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'	3431	3392	13.48	106.14	0.66	0.80
2	A'	3231	3195	66.18	669.96	0.30	0.46
3	A'	2844	2812	98.35	200.71	0.60	0.75
4	A'	1631	1612	6.67	31.57	0.56	0.71
5	A'	1412	1396	7.75	10.00	0.23	0.37
6	A'	1333	1318	13.59	29.35	0.19	0.32
7	A'	1037	1025	30.18	25.95	0.28	0.44
8	A"	1129	1116	10.32	0.22	0.75	0.86
9	A"	793	784	132.00	1.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.523
H3	-1.008	1.101
H4	-0.760	-1.144
H5	0.952	-1.025

	C1	N2	H3	H4	H5
C1		1.3117	1.1158	2.1003	2.0193
N2	1.3117		1.9456	1.0309	1.0205
H3	1.1158	1.9456		2.2584	2.8914
H4	2.1003	1.0309	2.2584		1.7163
H5	2.0193	1.0205	2.8914	1.7163

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.008		C1	N2	H5	119.426
N2	C1	H3	106.263		H4	N2	H5	113.566

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.472
2	N	-0.022
3	H	0.258
4	H	0.088
5	H	0.148

	x	y	z	Total
	-1.270	-3.236	0.000	3.476
CHELPG
AIM
ESP

	x	y	z
x	4.098	0.258	0.000
y	0.258	5.330	0.000
z	0.000	0.000	3.109

<r²>	20.240
(<r²>)^1/2	4.499

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)