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	hartrees
Energy at 0K	-226.595245
Energy at 298.15K	-226.602466
HF Energy	-225.980050
Nuclear repulsion energy	155.157007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3632	3355	0.46
2	A'	3193	2949	25.72
3	A'	3176	2934	3.51
4	A'	2497	2306	6.69
5	A'	1775	1640	31.88
6	A'	1595	1473	3.82
7	A'	1570	1450	3.65
8	A'	1488	1375	12.59
9	A'	1382	1276	2.94
10	A'	1182	1092	10.71
11	A'	1094	1011	49.96
12	A'	999	923	15.16
13	A'	895	827	211.92
14	A'	547	505	1.05
15	A'	397	366	8.47
16	A'	172	159	8.49
17	A"	3725	3440	1.42
18	A"	3247	2999	23.63
19	A"	3220	2974	0.15
20	A"	1465	1353	0.16
21	A"	1383	1277	0.20
22	A"	1227	1133	0.03
23	A"	1025	947	0.90
24	A"	798	737	1.45
25	A"	405	374	0.12
26	A"	320	296	58.68
27	A"	113	104	2.11

Atom	x (Å)	y (Å)	z (Å)
H1	2.535	-0.028	0.814
H2	2.535	-0.028	-0.814
N3	2.220	-0.536	0.000
H4	0.494	-1.271	0.873
H5	0.494	-1.271	-0.873
C6	0.780	-0.687	0.000
H7	0.262	1.229	0.878
H8	0.262	1.229	-0.878
C9	0.000	0.638	0.000
N10	-2.585	0.232	0.000
C11	-1.451	0.426	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6286	1.0100	2.3904	2.9255	2.0443	2.5977	3.0995	2.7444	5.1908	4.0932
H2	1.6286		1.0100	2.9255	2.3904	2.0443	3.0995	2.5977	2.7444	5.1908	4.0932
N3	1.0100	1.0100		2.0697	2.0697	1.4488	2.7785	2.7785	2.5118	4.8666	3.7953
H4	2.3904	2.9255	2.0697		1.7467	1.0884	2.5106	3.0609	2.1569	3.5359	2.7250
H5	2.9255	2.3904	2.0697	1.7467		1.0884	3.0609	2.5106	2.1569	3.5359	2.7250
C6	2.0443	2.0443	1.4488	1.0884	1.0884		2.1705	2.1705	1.5381	3.4882	2.4932
H7	2.5977	3.0995	2.7785	2.5106	3.0609	2.1705		1.7553	1.0898	3.1419	2.0854
H8	3.0995	2.5977	2.7785	3.0609	2.5106	2.1705	1.7553		1.0898	3.1419	2.0854
C9	2.7444	2.7444	2.5118	2.1569	2.1569	1.5381	1.0898	1.0898		2.6170	1.4663
N10	5.1908	5.1908	4.8666	3.5359	3.5359	3.4882	3.1419	3.1419	2.6170		1.1508
C11	4.0932	4.0932	3.7953	2.7250	2.7250	2.4932	2.0854	2.0854	1.4663	1.1508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	107.460	H1	N3	C6	111.234
H2	N3	C6	111.234	N3	C6	H4	108.490
N3	C6	H5	108.490	N3	C6	C9	114.442
H4	C6	H5	106.719	H4	C6	C9	109.210
H5	C6	C9	109.210	C6	C9	H7	110.197
C6	C9	H8	110.197	C6	C9	C11	112.137
H7	C9	H8	107.280	H7	C9	C11	108.441
H8	C9	C11	108.441	C9	C11	N10	178.592

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

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

States and conformations

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