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	hartrees
Energy at 0K	-149.945782
Energy at 298.15K	-149.951142
Nuclear repulsion energy	72.098558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3702	3559	27.04
2	A	3570	3432	17.97
3	A	3515	3379	1.12
4	A	3044	2926	66.47
5	A	1772	1703	252.84
6	A	1595	1533	34.65
7	A	1410	1355	22.93
8	A	1331	1280	21.42
9	A	1116	1073	107.73
10	A	1099	1056	9.19
11	A	1047	1007	1.40
12	A	809	778	24.99
13	A	599	575	200.22
14	A	548	526	21.63
15	A	405	389	127.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.123	0.393	-0.003
N2	1.137	-0.146	-0.078
N3	-1.169	-0.335	0.018
H4	-0.109	1.497	-0.012
H5	1.890	0.394	0.326
H6	1.178	-1.140	0.124
H7	-1.998	0.262	-0.000

	C1	N2	N3	H4	H5	H6	H7
C1		1.3723	1.2742	1.1047	2.0397	2.0142	1.8795
N2	1.3723		2.3150	2.0639	1.0111	1.0147	3.1620
N3	1.2742	2.3150		2.1167	3.1594	2.4828	1.0217
H4	1.1047	2.0639	2.1167		2.3089	2.9378	2.2568
H5	2.0397	1.0111	3.1594	2.3089		1.7030	3.9039
H6	2.0142	1.0147	2.4828	2.9378	1.7030		3.4733
H7	1.8795	3.1620	1.0217	2.2568	3.9039	3.4733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	116.887	C1	N2	H6	114.258
C1	N3	H7	109.404	N2	C1	N3	121.985
N2	C1	H4	112.412	N3	C1	H4	125.541
H5	N2	H6	114.417

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B1B95/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	0.052
2	N	-0.119
3	N	-0.228
4	H	0.004
5	H	0.102
6	H	0.104
7	H	0.086

	x	y	z	Total
	1.696	1.592	0.821	2.467
CHELPG
AIM
ESP

	x	y	z
x	5.427	0.167	0.060
y	0.167	3.727	-0.010
z	0.060	-0.010	1.921

<r²>	44.266
(<r²>)^1/2	6.653

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)