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	hartrees
Energy at 0K	-226.816925
Energy at 298.15K	-226.824023
HF Energy	-226.036814
Nuclear repulsion energy	154.319100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3540	3364	0.64
2	A'	3104	2949	25.65
3	A'	3088	2935	2.76
4	A'	2200	2091	0.11
5	A'	1663	1580	25.46
6	A'	1516	1441	3.56
7	A'	1487	1413	2.94
8	A'	1412	1342	13.70
9	A'	1308	1243	2.37
10	A'	1142	1085	7.92
11	A'	1053	1001	45.12
12	A'	963	915	12.11
13	A'	873	830	180.32
14	A'	518	492	1.33
15	A'	377	358	7.51
16	A'	159	151	6.55
17	A"	3636	3455	1.11
18	A"	3165	3007	19.89
19	A"	3139	2982	0.01
20	A"	1411	1341	0.37
21	A"	1326	1260	0.54
22	A"	1170	1111	0.01
23	A"	987	938	0.72
24	A"	772	734	0.82
25	A"	375	356	0.23
26	A"	318	302	47.52
27	A"	109	104	1.46

Atom	x (Å)	y (Å)	z (Å)
H1	2.525	-0.005	0.814
H2	2.525	-0.005	-0.814
N3	2.232	-0.535	0.000
H4	0.493	-1.268	0.879
H5	0.493	-1.268	-0.879
C6	0.784	-0.686	0.000
H7	0.270	1.234	0.883
H8	0.270	1.234	-0.883
C9	0.000	0.645	0.000
N10	-2.602	0.212	0.000
C11	-1.448	0.431	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6286	1.0151	2.3936	2.9315	2.0394	2.5737	3.0823	2.7316	5.1961	4.0795
H2	1.6286		1.0151	2.9315	2.3936	2.0394	3.0823	2.5737	2.7316	5.1961	4.0795
N3	1.0151	1.0151		2.0820	2.0820	1.4559	2.7854	2.7854	2.5249	4.8917	3.8052
H4	2.3936	2.9315	2.0820		1.7589	1.0938	2.5112	3.0681	2.1621	3.5416	2.7252
H5	2.9315	2.3936	2.0820	1.7589		1.0938	3.0681	2.5112	2.1621	3.5416	2.7252
C6	2.0394	2.0394	1.4559	1.0938	1.0938		2.1748	2.1748	1.5448	3.5033	2.4962
H7	2.5737	3.0823	2.7854	2.5112	3.0681	2.1748		1.7666	1.0953	3.1738	2.0924
H8	3.0823	2.5737	2.7854	3.0681	2.5112	2.1748	1.7666		1.0953	3.1738	2.0924
C9	2.7316	2.7316	2.5249	2.1621	2.1621	1.5448	1.0953	1.0953		2.6379	1.4642
N10	5.1961	5.1961	4.8917	3.5416	3.5416	3.5033	3.1738	3.1738	2.6379		1.1742
C11	4.0795	4.0795	3.8052	2.7252	2.7252	2.4962	2.0924	2.0924	1.4642	1.1742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	106.676	H1	N3	C6	109.959
H2	N3	C6	109.959	N3	C6	H4	108.650
N3	C6	H5	108.650	N3	C6	C9	114.547
H4	C6	H5	107.040	H4	C6	C9	108.849
H5	C6	C9	108.849	C6	C9	H7	109.753
C6	C9	H8	109.753	C6	C9	C11	112.081
H7	C9	H8	107.501	H7	C9	C11	108.818
H8	C9	C11	108.818	C9	C11	N10	177.691

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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