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	hartrees
Energy at 0K	-227.341094
Energy at 298.15K	-227.347963
Nuclear repulsion energy	152.764627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3399	3381	1.79
2	A'	2988	2972	25.62
3	A'	2962	2947	6.77
4	A'	2244	2232	16.71
5	A'	1626	1617	30.58
6	A'	1460	1452	3.32
7	A'	1432	1424	3.03
8	A'	1347	1340	18.84
9	A'	1258	1251	1.29
10	A'	1060	1055	21.46
11	A'	936	931	45.60
12	A'	915	910	0.19
13	A'	754	750	227.69
14	A'	496	493	4.73
15	A'	361	359	7.06
16	A'	156	155	6.74
17	A"	3491	3473	1.10
18	A"	3035	3019	22.80
19	A"	2998	2982	1.31
20	A"	1348	1341	0.02
21	A"	1265	1258	0.18
22	A"	1122	1116	0.01
23	A"	941	936	0.42
24	A"	741	737	1.45
25	A"	367	365	0.05
26	A"	300	299	46.94
27	A"	100	99	1.92

Atom	x (Å)	y (Å)	z (Å)
H1	2.594	-0.107	0.829
H2	2.594	-0.107	-0.829
N3	2.244	-0.596	0.000
H4	0.478	-1.291	0.885
H5	0.478	-1.291	-0.885
C6	0.781	-0.710	0.000
H7	0.283	1.248	0.888
H8	0.283	1.248	-0.888
C9	0.000	0.656	0.000
N10	-2.619	0.280	0.000
C11	-1.461	0.473	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6586	1.0245	2.4251	2.9695	2.0823	2.6797	3.1822	2.8276	5.2925	4.1787
H2	1.6586		1.0245	2.9695	2.4251	2.0823	3.1822	2.6797	2.8276	5.2925	4.1787
N3	1.0245	1.0245		2.0938	2.0938	1.4669	2.8350	2.8350	2.5693	4.9412	3.8556
H4	2.4251	2.9695	2.0938		1.7706	1.1016	2.5468	3.1033	2.1911	3.5836	2.7665
H5	2.9695	2.4251	2.0938	1.7706		1.1016	3.1033	2.5468	2.1911	3.5836	2.7665
C6	2.0823	2.0823	1.4669	1.1016	1.1016		2.2070	2.2070	1.5729	3.5413	2.5347
H7	2.6797	3.1822	2.8350	2.5468	3.1033	2.2070		1.7758	1.1044	3.1856	2.1044
H8	3.1822	2.6797	2.8350	3.1033	2.5468	2.2070	1.7758		1.1044	3.1856	2.1044
C9	2.8276	2.8276	2.5693	2.1911	2.1911	1.5729	1.1044	1.1044		2.6462	1.4721
N10	5.2925	5.2925	4.9412	3.5836	3.5836	3.5413	3.1856	3.1856	2.6462		1.1746
C11	4.1787	4.1787	3.8556	2.7665	2.7665	2.5347	2.1044	2.1044	1.4721	1.1746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	108.085	H1	N3	C6	112.172
H2	N3	C6	112.172	N3	C6	H4	108.373
N3	C6	H5	108.373	N3	C6	C9	115.346
H4	C6	H5	106.952	H4	C6	C9	108.742
H5	C6	C9	108.742	C6	C9	H7	109.807
C6	C9	H8	109.807	C6	C9	C11	112.654
H7	C9	H8	107.023	H7	C9	C11	108.691
H8	C9	C11	108.691	C9	C11	N10	177.637

All results from a given calculation for C₃H₆N₂ (3-Aminopropionitrile)

using model chemistry: BLYP/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	H	0.283
2	H	0.283
3	N	-0.566
4	H	0.158
5	H	0.158
6	C	-0.258
7	H	0.177
8	H	0.177
9	C	-0.052
10	N	-0.511
11	C	0.150

	x	y	z	Total
	3.837	1.501	0.000	4.120
CHELPG
AIM
ESP

<r²>	156.751
(<r²>)^1/2	12.520

All results from a given calculation for C3H6N2 (3-Aminopropionitrile)

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

States and conformations

All results from a given calculation for C₃H₆N₂ (3-Aminopropionitrile)