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	hartrees
Energy at 0K	-149.111038
Energy at 298.15K	-149.116492
Nuclear repulsion energy	72.642779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3919	3568	40.68
2	A	3791	3452	34.32
3	A	3766	3430	11.28
4	A	3242	2952	44.05
5	A	1871	1704	386.73
6	A	1755	1598	31.50
7	A	1532	1395	33.26
8	A	1426	1298	38.80
9	A	1207	1099	74.92
10	A	1180	1074	34.57
11	A	1149	1046	36.32
12	A	878	799	42.13
13	A	602	548	155.80
14	A	579	527	78.27
15	A	407	370	160.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.127	0.385	-0.004
N2	1.135	-0.144	-0.069
N3	-1.163	-0.330	0.014
H4	-0.139	1.475	-0.007
H5	1.884	0.412	0.282
H6	1.203	-1.121	0.121
H7	-1.992	0.237	0.011

	C1	N2	N3	H4	H5	H6	H7
C1		1.3700	1.2596	1.0897	2.0307	2.0135	1.8708
N2	1.3700		2.3080	2.0612	0.9959	0.9984	3.1511
N3	1.2596	2.3080		2.0750	3.1475	2.4980	1.0037
H4	1.0897	2.0612	2.0750		2.3035	2.9257	2.2274
H5	2.0307	0.9959	3.1475	2.3035		1.6853	3.8885
H6	2.0135	0.9984	2.4980	2.9257	1.6853		3.4735
H7	1.8708	3.1511	1.0037	2.2274	3.8885	3.4735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.387	C1	N2	H6	115.570
C1	N3	H7	110.990	N2	C1	N3	122.677
N2	C1	H4	113.372	N3	C1	H4	123.914
H5	N2	H6	115.361

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: HF/aug-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	0.999
2	N	-0.295
3	N	-0.503
4	H	-0.177
5	H	-0.012
6	H	-0.040
7	H	0.027

	x	y	z	Total
	1.808	2.058	0.829	2.862
CHELPG
AIM
ESP

	x	y	z
x	5.861	0.352	-0.030
y	0.352	4.224	-0.011
z	-0.030	-0.011	3.339

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)