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	hartrees
Energy at 0K	-149.883087
Energy at 298.15K	-149.888349
Nuclear repulsion energy	71.829315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3591	24.78
2	A	3486	3462	14.66
3	A	3431	3407	2.00
4	A	2946	2926	69.84
5	A	1682	1670	249.93
6	A	1566	1555	27.39
7	A	1357	1347	26.11
8	A	1294	1285	22.47
9	A	1081	1074	110.13
10	A	1057	1050	12.52
11	A	1000	993	0.22
12	A	774	768	39.66
13	A	565	561	106.20
14	A	521	517	44.35
15	A	379	376	155.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.395	-0.001
N2	1.138	-0.150	-0.066
N3	-1.176	-0.334	0.014
H4	-0.106	1.499	-0.007
H5	1.917	0.407	0.262
H6	1.197	-1.148	0.114
H7	-2.012	0.256	-0.001

	C1	N2	N3	H4	H5	H6	H7
C1		1.3743	1.2817	1.1045	2.0560	2.0329	1.8951
N2	1.3743		2.3231	2.0663	1.0121	1.0161	3.1769
N3	1.2817	2.3231		2.1229	3.1905	2.5108	1.0233
H4	1.1045	2.0663	2.1229		2.3144	2.9528	2.2757
H5	2.0560	1.0121	3.1905	2.3144		1.7204	3.9408
H6	2.0329	1.0161	2.5108	2.9528	1.7204		3.5045
H7	1.8951	3.1769	1.0233	2.2757	3.9408	3.5045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.181	C1	N2	H6	115.710
C1	N3	H7	110.107	N2	C1	N3	121.971
N2	C1	H4	112.481	N3	C1	H4	125.499
H5	N2	H6	116.033

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: PBEPBE/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	0.004
2	N	-0.177
3	N	-0.283
4	H	0.039
5	H	0.142
6	H	0.147
7	H	0.128

	x	y	z	Total
	1.888	1.617	0.663	2.573
CHELPG
AIM
ESP

	x	y	z
x	6.158	0.172	0.035
y	0.172	4.396	-0.013
z	0.035	-0.013	2.732

<r²>	44.891
(<r²>)^1/2	6.700

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)