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	hartrees
Energy at 0K	-187.011794
Energy at 298.15K	-187.016821
HF Energy	-187.011794
Nuclear repulsion energy	104.185784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3741	3399	5.63
2	A'	3228	2933	13.68
3	A'	2593	2356	5.46
4	A'	1810	1645	33.89
5	A'	1599	1453	6.04
6	A'	1495	1359	20.71
7	A'	1186	1077	19.04
8	A'	987	897	183.45
9	A'	879	799	60.86
10	A'	624	567	12.75
11	A'	246	223	16.75
12	A"	3825	3476	10.98
13	A"	3269	2970	7.07
14	A"	1501	1364	0.00
15	A"	1296	1177	0.10
16	A"	970	881	0.11
17	A"	430	390	4.98
18	A"	294	267	63.71

Atom	x (Å)	y (Å)	z (Å)
N1	-1.439	0.724	0.000
C2	0.000	0.820	0.000
C3	0.715	-0.481	0.000
N4	1.242	-1.478	0.000
H5	-1.780	0.250	0.810
H6	-1.780	0.250	-0.810
H7	0.327	1.373	0.870
H8	0.327	1.373	-0.870

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4425	2.4684	3.4695	0.9983	0.9983	2.0726	2.0726
C2	1.4425		1.4847	2.6122	2.0369	2.0369	1.0812	1.0812
C3	2.4684	1.4847		1.1276	2.7230	2.7230	2.0844	2.0844
N4	3.4695	2.6122	1.1276		3.5738	3.5738	3.1181	3.1181
H5	0.9983	2.0369	2.7230	3.5738		1.6195	2.3878	2.9188
H6	0.9983	2.0369	2.7230	3.5738	1.6195		2.9188	2.3878
H7	2.0726	1.0812	2.0844	3.1181	2.3878	2.9188		1.7399
H8	2.0726	1.0812	2.0844	3.1181	2.9188	2.3878	1.7399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.971	N1	C2	H7	109.595
N1	C2	H8	109.595	C2	N1	H5	111.847
C2	N1	H6	111.847	C2	C3	N4	179.057
C3	C2	H7	107.614	C3	C2	H8	107.614
H5	N1	H6	108.416	H7	C2	H8	107.152

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/TZVP

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	-0.422
2	C	-0.063
3	C	-0.054
4	N	-0.141
5	H	0.202
6	H	0.202
7	H	0.139
8	H	0.139

	x	y	z	Total
	-1.694	2.222	0.000	2.794
CHELPG
AIM
ESP

	x	y	z
x	4.759	-0.964	0.000
y	-0.964	5.357	0.000
z	0.000	0.000	3.750

<r²>	82.446
(<r²>)^1/2	9.080

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)