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	hartrees
Energy at 0K	-149.980297
Energy at 298.15K	-149.985580
Nuclear repulsion energy	71.238798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3635	36.18
2	A'	3624	3483	38.81
3	A'	3495	3360	8.43
4	A'	3063	2945	67.74
5	A'	1717	1651	322.91
6	A'	1641	1577	24.28
7	A'	1389	1335	52.07
8	A'	1332	1281	30.85
9	A'	1098	1056	138.37
10	A'	1062	1021	27.99
11	A'	529	509	25.27
12	A"	1066	1024	0.59
13	A"	799	768	74.08
14	A"	594	571	261.44
15	A"	370	355	185.16

Atom	x (Å)	y (Å)
C1	0.000	0.423
N2	-1.054	-0.469
N3	1.236	0.016
H4	-0.332	1.472
H5	-2.013	-0.158
H6	-0.849	-1.460
H7	1.922	0.779

	C1	N2	N3	H4	H5	H6	H7
C1		1.3809	1.3009	1.0998	2.0949	2.0655	1.9545
N2	1.3809		2.3402	2.0705	1.0080	1.0117	3.2269
N3	1.3009	2.3402		2.1392	3.2528	2.5539	1.0263
H4	1.0998	2.0705	2.1392		2.3408	2.9766	2.3579
H5	2.0949	1.0080	3.2528	2.3408		1.7463	4.0445
H6	2.0655	1.0117	2.5539	2.9766	1.7463		3.5622
H7	1.9545	3.2269	1.0263	2.3579	4.0445	3.5622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	121.768	C1	N2	H6	118.558
C1	N3	H7	113.728	N2	C1	N3	121.508
N2	C1	H4	112.674	N3	C1	H4	125.818
H5	N2	H6	119.673

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/SDD

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	-0.138
2	N	-0.566
3	N	-0.342
4	H	0.190
5	H	0.306
6	H	0.323
7	H	0.227

	x	y	z	Total
	-2.656	1.484	0.000	3.042
CHELPG
AIM
ESP

	x	y	z
x	5.647	0.331	0.000
y	0.331	3.516	0.000
z	0.000	0.000	1.633

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)