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	hartrees
Energy at 0K	-187.991374
Energy at 298.15K	-187.996092
HF Energy	-187.991374
Nuclear repulsion energy	102.486831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3390	1.43
2	A'	3012	2960	13.93
3	A'	2260	2221	4.38
4	A'	1651	1623	29.39
5	A'	1438	1413	7.32
6	A'	1333	1310	11.42
7	A'	1075	1057	16.36
8	A'	893	878	109.87
9	A'	821	807	87.42
10	A'	550	541	13.80
11	A'	204	201	9.91
12	A"	3543	3482	5.47
13	A"	3057	3004	4.81
14	A"	1360	1336	0.02
15	A"	1170	1150	0.00
16	A"	876	861	0.12
17	A"	381	375	19.94
18	A"	260	256	49.24

Atom	x (Å)	y (Å)	z (Å)
N1	-1.461	0.722	0.000
C2	0.000	0.834	0.000
C3	0.733	-0.456	0.000
N4	1.251	-1.507	0.000
H5	-1.777	0.204	0.820
H6	-1.777	0.204	-0.820
H7	0.315	1.409	0.882
H8	0.315	1.409	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4658	2.4904	3.5107	1.0195	1.0195	2.0991	2.0991
C2	1.4658		1.4836	2.6541	2.0561	2.0561	1.0990	1.0990
C3	2.4904	1.4836		1.1716	2.7220	2.7220	2.1050	2.1050
N4	3.5107	2.6541	1.1716		3.5738	3.5738	3.1869	3.1869
H5	1.0195	2.0561	2.7220	3.5738		1.6393	2.4153	2.9538
H6	1.0195	2.0561	2.7220	3.5738	1.6393		2.9538	2.4153
H7	2.0991	1.0990	2.1050	3.1869	2.4153	2.9538		1.7638
H8	2.0991	1.0990	2.1050	3.1869	2.9538	2.4153	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.212	N1	C2	H7	109.019
N1	C2	H8	109.019	C2	N1	H5	110.352
C2	N1	H6	110.352	C2	C3	N4	176.660
C3	C2	H7	108.268	C3	C2	H8	108.268
H5	N1	H6	107.016	H7	C2	H8	106.727

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B97D3/6-31+G**

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	-0.556
2	C	-0.294
3	C	0.307
4	N	-0.457
5	H	0.304
6	H	0.304
7	H	0.196
8	H	0.196

	x	y	z	Total
	-1.571	2.059	0.000	2.590
CHELPG
AIM
ESP

	x	y	z
x	5.858	-1.430	0.000
y	-1.430	6.540	0.000
z	0.000	0.000	4.198

<r²>	84.062
(<r²>)^1/2	9.169

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)