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	hartrees
Energy at 0K	-94.584908
Energy at 298.15K	-94.587822
HF Energy	-94.584908
Nuclear repulsion energy	33.021669

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	3586	22.38	88.87	0.67	0.80
2	A'	3435	3435	12.65	355.15	0.24	0.39
3	A'	2949	2949	93.16	166.16	0.48	0.65
4	A'	1694	1694	17.39	17.31	0.60	0.75
5	A'	1461	1461	13.11	9.51	0.19	0.33
6	A'	1390	1390	15.11	12.92	0.10	0.18
7	A'	1077	1077	23.91	11.73	0.23	0.38
8	A"	1161	1161	10.38	0.15	0.75	0.86
9	A"	813	813	146.22	0.34	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		1.3024	1.1052	2.0719	2.0022
N2	1.3024		1.9320	1.0161	1.0093
H3	1.1052	1.9320		2.2287	2.8668
H4	2.0719	1.0161	2.2287		1.7015
H5	2.0022	1.0093	2.8668	1.7015

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.222		C1	N2	H5	119.485
N2	C1	H3	106.442		H4	N2	H5	114.293

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/daug-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	-1.148
2	N	-0.359
3	H	0.690
4	H	0.178
5	H	0.640

	x	y	z	Total
	-1.339	-3.229	0.000	3.496
CHELPG
AIM
ESP

	x	y	z
x	3.782	0.105	0.000
y	0.105	4.782	0.000
z	0.000	0.000	2.982

<r²>	19.876
(<r²>)^1/2	4.458

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)