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	hartrees
Energy at 0K	-149.957402
Energy at 298.15K	-149.962758
Nuclear repulsion energy	71.952392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3691	3562	27.68
2	A	3559	3435	17.75
3	A	3506	3383	1.07
4	A	3034	2928	67.64
5	A	1761	1700	248.99
6	A	1597	1541	33.09
7	A	1408	1359	25.34
8	A	1332	1286	21.80
9	A	1116	1077	113.99
10	A	1099	1061	4.10
11	A	1046	1009	1.11
12	A	807	779	26.85
13	A	594	574	192.25
14	A	549	530	25.98
15	A	403	389	130.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.123	0.393	-0.003
N2	1.139	-0.147	-0.077
N3	-1.172	-0.335	0.017
H4	-0.108	1.500	-0.011
H5	1.896	0.397	0.320
H6	1.183	-1.142	0.124
H7	-2.003	0.262	-0.000

	C1	N2	N3	H4	H5	H6	H7
C1		1.3747	1.2769	1.1071	2.0442	2.0200	1.8841
N2	1.3747		2.3202	2.0669	1.0126	1.0162	3.1690
N3	1.2769	2.3202		2.1214	3.1679	2.4919	1.0234
H4	1.1071	2.0669	2.1214		2.3111	2.9441	2.2632
H5	2.0442	1.0126	3.1679	2.3111		1.7070	3.9136
H6	2.0200	1.0162	2.4919	2.9441	1.7070		3.4840
H7	1.8841	3.1690	1.0234	2.2632	3.9136	3.4840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	116.987	C1	N2	H6	114.476
C1	N3	H7	109.490	N2	C1	N3	122.051
N2	C1	H4	112.329	N3	C1	H4	125.561
H5	N2	H6	114.571

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3PW91/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	0.046
2	N	-0.133
3	N	-0.241
4	H	0.017
5	H	0.108
6	H	0.111
7	H	0.092

	x	y	z	Total
	1.733	1.611	0.815	2.502
CHELPG
AIM
ESP

	x	y	z
x	5.444	0.172	0.056
y	0.172	3.734	-0.009
z	0.056	-0.009	1.924

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)