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	hartrees
Energy at 0K	-94.584768
Energy at 298.15K	-94.587686
HF Energy	-94.584768
Nuclear repulsion energy	33.020784

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'	3586	3436	22.28	88.80	0.67	0.80
2	A'	3435	3291	12.61	352.21	0.24	0.39
3	A'	2951	2827	92.52	164.66	0.49	0.66
4	A'	1694	1623	17.36	17.09	0.60	0.75
5	A'	1461	1399	13.16	9.74	0.19	0.32
6	A'	1390	1331	15.21	11.20	0.12	0.21
7	A'	1077	1032	23.90	11.11	0.26	0.41
8	A"	1161	1112	10.46	0.18	0.75	0.86
9	A"	812	778	146.57	0.33	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.521
H3	-0.997	1.094
H4	-0.757	-1.121
H5	0.941	-1.018

	C1	N2	H3	H4	H5
C1		1.3025	1.1051	2.0720	2.0023
N2	1.3025		1.9320	1.0161	1.0093
H3	1.1051	1.9320		2.2287	2.8668
H4	2.0720	1.0161	2.2287		1.7015
H5	2.0023	1.0093	2.8668	1.7015

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.220		C1	N2	H5	119.483
N2	C1	H3	106.440		H4	N2	H5	114.297

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/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	-0.511
2	N	-0.019
3	H	0.301
4	H	0.081
5	H	0.148

	x	y	z	Total
	-1.342	-3.230	0.000	3.498
CHELPG
AIM
ESP

	x	y	z
x	3.753	0.106	0.000
y	0.106	4.761	0.000
z	0.000	0.000	2.947

<r²>	19.876
(<r²>)^1/2	4.458

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)