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	hartrees
Energy at 0K	-226.735192
Energy at 298.15K	-226.742290
HF Energy	-225.988703
Nuclear repulsion energy	154.285002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3579	3352	0.29
2	A'	3152	2952	24.48
3	A'	3133	2934	3.36
4	A'	2214	2074	0.15
5	A'	1702	1594	25.35
6	A'	1551	1453	2.58
7	A'	1524	1427	2.71
8	A'	1433	1342	12.41
9	A'	1332	1247	3.30
10	A'	1151	1078	7.24
11	A'	1061	994	44.34
12	A'	971	910	8.96
13	A'	870	815	199.46
14	A'	514	482	1.56
15	A'	380	356	7.32
16	A'	159	149	6.96
17	A"	3685	3451	0.88
18	A"	3216	3012	20.35
19	A"	3189	2986	0.38
20	A"	1424	1333	0.24
21	A"	1345	1259	0.34
22	A"	1187	1111	0.00
23	A"	995	932	0.94
24	A"	775	726	1.10
25	A"	371	347	0.03
26	A"	326	305	54.03
27	A"	112	104	1.72

Atom	x (Å)	y (Å)	z (Å)
H1	2.531	-0.005	0.814
H2	2.531	-0.005	-0.814
N3	2.233	-0.531	0.000
H4	0.500	-1.265	0.876
H5	0.500	-1.265	-0.876
C6	0.787	-0.682	0.000
H7	0.267	1.233	0.879
H8	0.267	1.233	-0.879
C9	0.000	0.644	0.000
N10	-2.609	0.207	0.000
C11	-1.448	0.428	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6278	1.0138	2.3906	2.9268	2.0408	2.5812	3.0862	2.7368	5.2081	4.0849
H2	1.6278		1.0138	2.9268	2.3906	2.0408	3.0862	2.5812	2.7368	5.2081	4.0849
N3	1.0138	1.0138		2.0756	2.0756	1.4544	2.7836	2.7836	2.5231	4.8976	3.8042
H4	2.3906	2.9268	2.0756		1.7516	1.0900	2.5083	3.0614	2.1584	3.5495	2.7254
H5	2.9268	2.3906	2.0756	1.7516		1.0900	3.0614	2.5083	2.1584	3.5495	2.7254
C6	2.0408	2.0408	1.4544	1.0900	1.0900		2.1704	2.1704	1.5416	3.5098	2.4953
H7	2.5812	3.0862	2.7836	2.5083	3.0614	2.1704		1.7586	1.0917	3.1771	2.0892
H8	3.0862	2.5812	2.7836	3.0614	2.5083	2.1704	1.7586		1.0917	3.1771	2.0892
C9	2.7368	2.7368	2.5231	2.1584	2.1584	1.5416	1.0917	1.0917		2.6447	1.4644
N10	5.2081	5.2081	4.8976	3.5495	3.5495	3.5098	3.1771	3.1771	2.6447		1.1808
C11	4.0849	4.0849	3.8042	2.7254	2.7254	2.4953	2.0892	2.0892	1.4644	1.1808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	106.803	H1	N3	C6	110.269
H2	N3	C6	110.269	N3	C6	H4	108.473
N3	C6	H5	108.473	N3	C6	C9	114.701
H4	C6	H5	106.926	H4	C6	C9	108.996
H5	C6	C9	108.996	C6	C9	H7	109.840
C6	C9	H8	109.840	C6	C9	C11	112.196
H7	C9	H8	107.308	H7	C9	C11	108.762
H8	C9	C11	108.762	C9	C11	N10	177.747

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

using model chemistry: MP2/6-31G**

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

using model chemistry: MP2/6-31G**

States and conformations

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