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	hartrees
Energy at 0K	-150.010891
Energy at 298.15K	-150.016234
Nuclear repulsion energy	71.988280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3559	23.11
2	A	3575	3434	18.45
3	A	3513	3375	0.28
4	A	3046	2927	64.50
5	A	1754	1685	253.59
6	A	1628	1564	32.69
7	A	1425	1369	29.56
8	A	1342	1290	24.70
9	A	1117	1073	116.18
10	A	1101	1057	5.90
11	A	1050	1009	2.35
12	A	807	775	28.07
13	A	593	569	211.88
14	A	549	527	36.11
15	A	400	385	146.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.123	0.394	-0.003
N2	1.139	-0.147	-0.072
N3	-1.173	-0.334	0.017
H4	-0.110	1.493	-0.013
H5	1.903	0.396	0.301
H6	1.185	-1.141	0.112
H7	-2.005	0.254	-0.002

	C1	N2	N3	H4	H5	H6	H7
C1		1.3759	1.2775	1.0986	2.0491	2.0211	1.8872
N2	1.3759		2.3214	2.0627	1.0087	1.0118	3.1711
N3	1.2775	2.3214		2.1137	3.1739	2.4944	1.0195
H4	1.0986	2.0627	2.1137		2.3137	2.9381	2.2645
H5	2.0491	1.0087	3.1739	2.3137		1.7072	3.9227
H6	2.0211	1.0118	2.4944	2.9381	1.7072		3.4845
H7	1.8872	3.1711	1.0195	2.2645	3.9227	3.4845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.651	C1	N2	H6	114.797
C1	N3	H7	109.987	N2	C1	N3	122.023
N2	C1	H4	112.451	N3	C1	H4	125.474
H5	N2	H6	115.325

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/6-31G**

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	0.265
2	N	-0.569
3	N	-0.534
4	H	0.080
5	H	0.262
6	H	0.271
7	H	0.225

	x	y	z	Total
	1.733	1.703	0.841	2.571
CHELPG
AIM
ESP

	x	y	z
x	5.505	0.196	0.049
y	0.196	3.657	0.001
z	0.049	0.001	1.706

<r²>	44.496
(<r²>)^1/2	6.671

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)