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	hartrees
Energy at 0K	-150.008825
Energy at 298.15K	-150.014121
Nuclear repulsion energy	72.354102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3724	3581	33.68
2	A	3593	3455	24.26
3	A	3539	3403	4.19
4	A	3037	2920	60.25
5	A	1742	1675	284.21
6	A	1618	1556	31.42
7	A	1409	1355	27.44
8	A	1332	1281	28.28
9	A	1112	1069	124.54
10	A	1091	1049	3.96
11	A	1049	1009	0.42
12	A	803	772	41.62
13	A	573	551	89.95
14	A	533	513	52.52
15	A	365	351	180.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.390	-0.001
N2	1.132	-0.147	-0.061
N3	-1.169	-0.331	0.013
H4	-0.115	1.485	-0.007
H5	1.908	0.411	0.244
H6	1.200	-1.138	0.106
H7	-2.000	0.250	0.003

	C1	N2	N3	H4	H5	H6	H7
C1		1.3657	1.2704	1.0958	2.0453	2.0234	1.8825
N2	1.3657		2.3090	2.0548	1.0035	1.0072	3.1574
N3	1.2704	2.3090		2.1000	3.1732	2.5041	1.0141
H4	1.0958	2.0548	2.1000		2.3040	2.9367	2.2537
H5	2.0453	1.0035	3.1732	2.3040		1.7091	3.9184
H6	2.0234	1.0072	2.5041	2.9367	1.7091		3.4894
H7	1.8825	3.1574	1.0141	2.2537	3.9184	3.4894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.574	C1	N2	H6	116.207
C1	N3	H7	110.476	N2	C1	N3	122.271
N2	C1	H4	112.730	N3	C1	H4	124.960
H5	N2	H6	116.418

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3PW91/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	0.038
2	N	-0.207
3	N	-0.315
4	H	0.051
5	H	0.147
6	H	0.154
7	H	0.132

	x	y	z	Total
	1.917	1.734	0.650	2.666
CHELPG
AIM
ESP

	x	y	z
x	5.856	0.213	0.016
y	0.213	4.151	-0.008
z	0.016	-0.008	2.677

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)