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	hartrees
Energy at 0K	-226.247035
Energy at 298.15K	-226.253967
Nuclear repulsion energy	155.866115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3433	3400	2.91
2	A'	2979	2950	16.84
3	A'	2960	2931	0.74
4	A'	2315	2292	21.10
5	A'	1585	1570	30.79
6	A'	1417	1404	6.48
7	A'	1381	1368	5.48
8	A'	1324	1311	16.31
9	A'	1233	1221	1.20
10	A'	1138	1127	20.85
11	A'	1008	998	31.71
12	A'	967	957	4.03
13	A'	743	736	230.64
14	A'	522	517	4.61
15	A'	367	363	8.36
16	A'	152	150	5.93
17	A"	3521	3487	5.44
18	A"	3026	2997	7.60
19	A"	2998	2969	0.18
20	A"	1327	1314	0.09
21	A"	1245	1233	0.63
22	A"	1102	1091	0.17
23	A"	925	916	0.20
24	A"	732	725	3.71
25	A"	382	378	0.03
26	A"	295	292	38.66
27	A"	99	98	2.15

Atom	x (Å)	y (Å)	z (Å)
H1	2.535	-0.070	0.826
H2	2.535	-0.070	-0.826
N3	2.189	-0.560	0.000
H4	0.454	-1.274	0.878
H5	0.454	-1.274	-0.878
C6	0.766	-0.687	0.000
H7	0.286	1.233	0.884
H8	0.286	1.233	-0.884
C9	0.000	0.639	0.000
N10	-2.561	0.244	0.000
C11	-1.424	0.453	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6524	1.0206	2.4044	2.9465	2.0473	2.5994	3.1112	2.7587	5.1716	4.0778
H2	1.6524		1.0206	2.9465	2.4044	2.0473	3.1112	2.5994	2.7587	5.1716	4.0778
N3	1.0206	1.0206		2.0718	2.0718	1.4293	2.7602	2.7602	2.4962	4.8178	3.7528
H4	2.4044	2.9465	2.0718		1.7554	1.1012	2.5126	3.0689	2.1531	3.4876	2.6980
H5	2.9465	2.4044	2.0718	1.7554		1.1012	3.0689	2.5126	2.1531	3.4876	2.6980
C6	2.0473	2.0473	1.4293	1.1012	1.1012		2.1673	2.1673	1.5310	3.4543	2.4686
H7	2.5994	3.1112	2.7602	2.5126	3.0689	2.1673		1.7689	1.1032	3.1412	2.0778
H8	3.1112	2.5994	2.7602	3.0689	2.5126	2.1673	1.7689		1.1032	3.1412	2.0778
C9	2.7587	2.7587	2.4962	2.1531	2.1531	1.5310	1.1032	1.1032		2.5911	1.4363
N10	5.1716	5.1716	4.8178	3.4876	3.4876	3.4543	3.1412	3.1412	2.5911		1.1557
C11	4.0778	4.0778	3.7528	2.6980	2.6980	2.4686	2.0778	2.0778	1.4363	1.1557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	108.098	H1	N3	C6	112.301
H2	N3	C6	112.301	N3	C6	H4	109.231
N3	C6	H5	109.231	N3	C6	C9	114.930
H4	C6	H5	105.699	H4	C6	C9	108.674
H5	C6	C9	108.674	C6	C9	H7	109.656
C6	C9	H8	109.656	C6	C9	C11	112.560
H7	C9	H8	106.583	H7	C9	C11	109.102
H8	C9	C11	109.102	C9	C11	N10	177.048

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

using model chemistry: SVWN/cc-pVTZ

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	0.143
2	H	0.143
3	N	-0.295
4	H	0.136
5	H	0.136
6	C	-0.165
7	H	0.139
8	H	0.139
9	C	-0.218
10	N	-0.037
11	C	-0.122

	x	y	z	Total
	3.973	1.402	0.000	4.213
CHELPG
AIM
ESP

	x	y	z
x	9.877	-0.051	0.000
y	-0.051	6.222	0.000
z	0.000	0.000	5.854

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/cc-pVTZ

States and conformations

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