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	hartrees
Energy at 0K	-226.219933
Energy at 298.15K	-226.226904
Nuclear repulsion energy	155.576232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3438	3402	1.46
2	A'	2982	2951	18.46
3	A'	2962	2931	1.30
4	A'	2320	2295	19.92
5	A'	1592	1576	35.30
6	A'	1420	1406	7.27
7	A'	1383	1369	5.63
8	A'	1326	1313	16.88
9	A'	1236	1223	1.90
10	A'	1141	1130	20.54
11	A'	1003	992	31.82
12	A'	970	960	6.30
13	A'	741	733	255.00
14	A'	525	520	5.54
15	A'	368	364	9.75
16	A'	154	153	5.82
17	A"	3525	3489	3.78
18	A"	3030	2998	10.00
19	A"	3000	2969	0.06
20	A"	1332	1318	0.32
21	A"	1249	1236	0.89
22	A"	1106	1094	0.34
23	A"	928	918	0.33
24	A"	735	727	3.86
25	A"	392	388	0.03
26	A"	313	310	44.87
27	A"	101	100	1.66

Atom	x (Å)	y (Å)	z (Å)
H1	2.536	-0.075	0.828
H2	2.536	-0.075	-0.828
N3	2.193	-0.566	0.000
H4	0.456	-1.282	0.879
H5	0.456	-1.282	-0.879
C6	0.768	-0.694	0.000
H7	0.290	1.230	0.885
H8	0.290	1.230	-0.885
C9	0.000	0.636	0.000
N10	-2.566	0.259	0.000
C11	-1.426	0.458	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6559	1.0219	2.4052	2.9491	2.0478	2.5980	3.1116	2.7606	5.1795	4.0823
H2	1.6559		1.0219	2.9491	2.4052	2.0478	3.1116	2.5980	2.7606	5.1795	4.0823
N3	1.0219	1.0219		2.0745	2.0745	1.4309	2.7629	2.7629	2.5012	4.8305	3.7615
H4	2.4052	2.9491	2.0745		1.7586	1.1029	2.5175	3.0744	2.1586	3.5041	2.7095
H5	2.9491	2.4052	2.0745	1.7586		1.1029	3.0744	2.5175	2.1586	3.5041	2.7095
C6	2.0478	2.0478	1.4309	1.1029	1.1029		2.1712	2.1712	1.5357	3.4676	2.4780
H7	2.5980	3.1116	2.7629	2.5175	3.0744	2.1712		1.7709	1.1050	3.1446	2.0798
H8	3.1116	2.5980	2.7629	3.0744	2.5175	2.1712	1.7709		1.1050	3.1446	2.0798
C9	2.7606	2.7606	2.5012	2.1586	2.1586	1.5357	1.1050	1.1050		2.5941	1.4372
N10	5.1795	5.1795	4.8305	3.5041	3.5041	3.4676	3.1446	3.1446	2.5941		1.1576
C11	4.0823	4.0823	3.7615	2.7095	2.7095	2.4780	2.0798	2.0798	1.4372	1.1576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	108.230	H1	N3	C6	112.127
H2	N3	C6	112.127	N3	C6	H4	109.230
N3	C6	H5	109.230	N3	C6	C9	114.892
H4	C6	H5	105.741	H4	C6	C9	108.676
H5	C6	C9	108.676	C6	C9	H7	109.532
C6	C9	H8	109.532	C6	C9	C11	112.880
H7	C9	H8	106.506	H7	C9	C11	109.095
H8	C9	C11	109.095	C9	C11	N10	177.184

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	H	0.215
2	H	0.215
3	N	-0.451
4	H	0.184
5	H	0.184
6	C	-0.236
7	H	0.189
8	H	0.189
9	C	-0.310
10	N	-0.215
11	C	0.036

	x	y	z	Total
	3.916	1.439	0.000	4.171
CHELPG
AIM
ESP

	x	y	z
x	9.371	-0.001	0.000
y	-0.001	5.684	0.000
z	0.000	0.000	5.429

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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