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	hartrees
Energy at 0K	-94.561910
Energy at 298.15K	-94.564826
HF Energy	-94.561910
Nuclear repulsion energy	32.827342

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'	3591	3441	21.77	91.33	0.69	0.82
2	A'	3430	3287	12.24	346.36	0.23	0.38
3	A'	2954	2831	98.76	169.31	0.50	0.66
4	A'	1691	1620	18.39	16.19	0.62	0.77
5	A'	1456	1395	13.05	10.46	0.20	0.34
6	A'	1380	1322	15.76	8.33	0.13	0.23
7	A'	1071	1026	23.52	10.18	0.30	0.46
8	A"	1152	1104	11.77	0.39	0.75	0.86
9	A"	813	779	150.34	0.33	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.524
H3	-1.008	1.098
H4	-0.759	-1.129
H5	0.946	-1.021

	C1	N2	H3	H4	H5
C1		1.3107	1.1150	2.0842	2.0120
N2	1.3107		1.9433	1.0204	1.0134
H3	1.1150	1.9433		2.2402	2.8822
H4	2.0842	1.0204	2.2402		1.7084
H5	2.0120	1.0134	2.8822	1.7084

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.339		C1	N2	H5	119.379
N2	C1	H3	106.198		H4	N2	H5	114.281

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/aug-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	-0.029
2	N	0.160
3	H	-0.131
4	H	-0.039
5	H	0.040

	x	y	z	Total
	-1.337	-3.229	0.000	3.495
CHELPG
AIM
ESP

	x	y	z
x	3.740	0.087	0.000
y	0.087	4.759	0.000
z	0.000	0.000	2.884

<r²>	20.044
(<r²>)^1/2	4.477

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)