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	hartrees
Energy at 0K	-149.829494
Energy at 298.15K	-149.834807
Nuclear repulsion energy	71.446600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3580	3559	18.28
2	A	3447	3427	8.89
3	A	3390	3370	0.07
4	A	2937	2920	77.25
5	A	1699	1689	218.14
6	A	1541	1532	28.55
7	A	1355	1347	23.27
8	A	1294	1286	16.85
9	A	1086	1079	95.09
10	A	1064	1058	16.52
11	A	997	991	0.63
12	A	779	775	24.79
13	A	591	588	189.52
14	A	536	533	19.66
15	A	404	402	113.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.399	-0.001
N2	1.144	-0.149	-0.081
N3	-1.179	-0.338	0.019
H4	-0.097	1.515	-0.013
H5	1.905	0.391	0.335
H6	1.178	-1.153	0.126
H7	-2.014	0.269	-0.006

	C1	N2	N3	H4	H5	H6	H7
C1		1.3826	1.2885	1.1161	2.0550	2.0290	1.8960
N2	1.3826		2.3328	2.0776	1.0212	1.0253	3.1866
N3	1.2885	2.3328		2.1458	3.1844	2.4961	1.0328
H4	1.1161	2.0776	2.1458		2.3227	2.9605	2.2859
H5	2.0550	1.0212	3.1844	2.3227		1.7187	3.9355
H6	2.0290	1.0253	2.4961	2.9605	1.7187		3.4970
H7	1.8960	3.1866	1.0328	2.2859	3.9355	3.4970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	116.697	C1	N2	H6	114.023
C1	N3	H7	109.034	N2	C1	N3	121.667
N2	C1	H4	112.058	N3	C1	H4	126.200
H5	N2	H6	114.240

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: PBEPBE/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	0.015
2	N	-0.084
3	N	-0.204
4	H	-0.001
5	H	0.097
6	H	0.095
7	H	0.081

	x	y	z	Total
	1.720	1.458	0.794	2.391
CHELPG
AIM
ESP

	x	y	z
x	5.718	0.116	0.080
y	0.116	3.960	-0.015
z	0.080	-0.015	1.964

<r²>	44.896
(<r²>)^1/2	6.700

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)