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	hartrees
Energy at 0K	-149.970818
Energy at 298.15K	-149.976149
Nuclear repulsion energy	72.257790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3586	33.20
2	A	3632	3455	25.56
3	A	3575	3402	0.88
4	A	3077	2928	62.72
5	A	1783	1696	271.85
6	A	1638	1558	38.88
7	A	1434	1365	27.52
8	A	1353	1287	27.16
9	A	1128	1073	116.68
10	A	1107	1054	5.42
11	A	1061	1009	1.93
12	A	815	775	33.54
13	A	588	560	177.39
14	A	547	520	50.22
15	A	385	367	176.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.393	-0.002
N2	1.134	-0.147	-0.067
N3	-1.169	-0.332	0.016
H4	-0.109	1.490	-0.012
H5	1.903	0.398	0.280
H6	1.183	-1.140	0.105
H7	-1.997	0.256	-0.002

	C1	N2	N3	H4	H5	H6	H7
C1		1.3681	1.2739	1.0972	2.0446	2.0157	1.8803
N2	1.3681		2.3116	2.0561	1.0049	1.0084	3.1572
N3	1.2739	2.3116		2.1081	3.1689	2.4888	1.0158
H4	1.0972	2.0561	2.1081		2.3081	2.9322	2.2554
H5	2.0446	1.0049	3.1689	2.3081		1.7066	3.9131
H6	2.0157	1.0084	2.4888	2.9322	1.7066		3.4748
H7	1.8803	3.1572	1.0158	2.2554	3.9131	3.4748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.194	C1	N2	H6	115.192
C1	N3	H7	109.897	N2	C1	N3	122.040
N2	C1	H4	112.562	N3	C1	H4	125.351
H5	N2	H6	115.911

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: mPW1PW91/6-31G**

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	0.251
2	N	-0.617
3	N	-0.567
4	H	0.110
5	H	0.284
6	H	0.294
7	H	0.245

	x	y	z	Total
	1.801	1.764	0.810	2.648
CHELPG
AIM
ESP

	x	y	z
x	5.410	0.216	0.032
y	0.216	3.602	0.001
z	0.032	0.001	1.702

<r²>	44.173
(<r²>)^1/2	6.646

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)