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	hartrees
Energy at 0K	-187.079857
Energy at 298.15K	-187.084563
HF Energy	-187.079857
Nuclear repulsion energy	103.324864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3431	3405	6.75
2	A'	2986	2964	7.17
3	A'	2291	2273	6.82
4	A'	1578	1566	27.45
5	A'	1360	1350	12.38
6	A'	1276	1267	5.33
7	A'	1126	1118	13.58
8	A'	924	917	35.33
9	A'	797	791	137.23
10	A'	559	555	12.74
11	A'	204	202	10.10
12	A"	3518	3491	15.52
13	A"	3030	3007	0.14
14	A"	1310	1301	0.02
15	A"	1127	1119	0.06
16	A"	846	840	0.18
17	A"	378	375	10.53
18	A"	249	247	47.05

Atom	x (Å)	y (Å)	z (Å)
N1	-1.439	0.710	0.000
C2	0.000	0.824	0.000
C3	0.720	-0.446	0.000
N4	1.234	-1.494	0.000
H5	-1.769	0.198	0.825
H6	-1.769	0.198	-0.825
H7	0.324	1.411	0.884
H8	0.324	1.411	-0.884

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4432	2.4485	3.4639	1.0255	1.0255	2.0930	2.0930
C2	1.4432		1.4599	2.6263	2.0498	2.0498	1.1092	1.1092
C3	2.4485	1.4599		1.1675	2.7000	2.7000	2.0938	2.0938
N4	3.4639	2.6263	1.1675		3.5441	3.5441	3.1696	3.1696
H5	1.0255	2.0498	2.7000	3.5441		1.6504	2.4196	2.9618
H6	1.0255	2.0498	2.7000	3.5441	1.6504		2.9618	2.4196
H7	2.0930	1.1092	2.0938	3.1696	2.4196	2.9618		1.7681
H8	2.0930	1.1092	2.0938	3.1696	2.9618	2.4196	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.999	N1	C2	H7	109.473
N1	C2	H8	109.473	C2	N1	H5	111.134
C2	N1	H6	111.134	C2	C3	N4	176.556
C3	C2	H7	108.397	C3	C2	H8	108.397
H5	N1	H6	107.150	H7	C2	H8	105.687

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: SVWN/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	N	-0.098
2	C	0.725
3	C	-0.108
4	N	-0.125
5	H	-0.013
6	H	-0.013
7	H	-0.184
8	H	-0.184

	x	y	z	Total
	-1.679	2.250	0.000	2.808
CHELPG
AIM
ESP

	x	y	z
x	6.480	-1.272	0.000
y	-1.272	6.939	0.000
z	0.000	0.000	4.859

<r²>	82.558
(<r²>)^1/2	9.086

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: SVWN/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)