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	hartrees
Energy at 0K	-150.069514
Energy at 298.15K	-150.074821
Nuclear repulsion energy	72.256043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3698	3574	29.86
2	A	3571	3452	22.02
3	A	3517	3399	3.33
4	A	3030	2929	62.54
5	A	1730	1673	277.00
6	A	1624	1570	28.38
7	A	1411	1364	31.37
8	A	1331	1287	27.57
9	A	1109	1072	127.00
10	A	1092	1056	6.23
11	A	1050	1015	0.87
12	A	802	775	40.71
13	A	573	554	93.58
14	A	537	519	59.18
15	A	374	362	172.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.124	0.390	-0.002
N2	1.135	-0.147	-0.062
N3	-1.170	-0.331	0.013
H4	-0.116	1.485	-0.008
H5	1.909	0.411	0.251
H6	1.203	-1.138	0.107
H7	-2.005	0.245	0.003

	C1	N2	N3	H4	H5	H6	H7
C1		1.3699	1.2708	1.0944	2.0484	2.0271	1.8871
N2	1.3699		2.3134	2.0570	1.0042	1.0078	3.1651
N3	1.2708	2.3134		2.0993	3.1759	2.5084	1.0144
H4	1.0944	2.0570	2.0993		2.3068	2.9383	2.2597
H5	2.0484	1.0042	3.1759	2.3068		1.7085	3.9256
H6	2.0271	1.0078	2.5084	2.9383	1.7085		3.4952
H7	1.8871	3.1651	1.0144	2.2597	3.9256	3.4952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.453	C1	N2	H6	116.146
C1	N3	H7	110.843	N2	C1	N3	122.293
N2	C1	H4	112.692	N3	C1	H4	124.975
H5	N2	H6	116.240

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/cc-pVTZ

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	0.028
2	N	-0.217
3	N	-0.303
4	H	0.055
5	H	0.149
6	H	0.156
7	H	0.133

	x	y	z	Total
	1.865	1.735	0.662	2.632
CHELPG
AIM
ESP

	x	y	z
x	5.904	0.208	0.025
y	0.208	4.183	-0.009
z	0.025	-0.009	2.670

<r²>	44.574
(<r²>)^1/2	6.676

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)