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	hartrees
Energy at 0K	-227.325283
Energy at 298.15K	-227.332224
Nuclear repulsion energy	152.897874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3368	3342	1.50
2	A'	2989	2966	27.73
3	A'	2960	2938	7.44
4	A'	2260	2243	11.02
5	A'	1632	1619	17.98
6	A'	1469	1458	2.11
7	A'	1440	1429	2.01
8	A'	1352	1342	16.39
9	A'	1263	1253	3.41
10	A'	1077	1068	5.72
11	A'	940	933	62.29
12	A'	922	915	0.08
13	A'	815	808	203.89
14	A'	501	497	3.63
15	A'	362	359	6.29
16	A'	157	156	6.25
17	A"	3452	3425	0.66
18	A"	3035	3012	25.42
19	A"	2995	2972	2.80
20	A"	1359	1348	0.21
21	A"	1271	1261	0.41
22	A"	1130	1122	0.00
23	A"	948	941	0.65
24	A"	744	738	2.02
25	A"	377	374	0.02
26	A"	321	318	46.24
27	A"	103	102	1.80

Atom	x (Å)	y (Å)	z (Å)
H1	2.561	-0.064	0.821
H2	2.561	-0.064	-0.821
N3	2.247	-0.594	0.000
H4	0.480	-1.295	0.885
H5	0.480	-1.295	-0.885
C6	0.784	-0.713	0.000
H7	0.285	1.242	0.887
H8	0.285	1.242	-0.887
C9	0.000	0.649	0.000
N10	-2.618	0.279	0.000
C11	-1.460	0.471	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6424	1.0267	2.4189	2.9592	2.0626	2.6243	3.1305	2.7820	5.2542	4.1381
H2	1.6424		1.0267	2.9592	2.4189	2.0626	3.1305	2.6243	2.7820	5.2542	4.1381
N3	1.0267	1.0267		2.0967	2.0967	1.4678	2.8292	2.8292	2.5675	4.9419	3.8562
H4	2.4189	2.9592	2.0967		1.7693	1.1017	2.5451	3.1009	2.1894	3.5855	2.7685
H5	2.9592	2.4189	2.0967	1.7693		1.1017	3.1009	2.5451	2.1894	3.5855	2.7685
C6	2.0626	2.0626	1.4678	1.1017	1.1017		2.2043	2.2043	1.5716	3.5430	2.5367
H7	2.6243	3.1305	2.8292	2.5451	3.1009	2.2043		1.7738	1.1045	3.1846	2.1039
H8	3.1305	2.6243	2.8292	3.1009	2.5451	2.2043	1.7738		1.1045	3.1846	2.1039
C9	2.7820	2.7820	2.5675	2.1894	2.1894	1.5716	1.1045	1.1045		2.6436	1.4704
N10	5.2542	5.2542	4.9419	3.5855	3.5855	3.5430	3.1846	3.1846	2.6436		1.1738
C11	4.1381	4.1381	3.8562	2.7685	2.7685	2.5367	2.1039	2.1039	1.4704	1.1738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	106.223	H1	N3	C6	110.301
H2	N3	C6	110.301	N3	C6	H4	108.531
N3	C6	H5	108.531	N3	C6	C9	115.244
H4	C6	H5	106.832	H4	C6	C9	108.693
H5	C6	C9	108.693	C6	C9	H7	109.678
C6	C9	H8	109.678	C6	C9	C11	112.963
H7	C9	H8	106.825	H7	C9	C11	108.753
H8	C9	C11	108.753	C9	C11	N10	177.531

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	H	0.227
2	H	0.227
3	N	-0.541
4	H	0.117
5	H	0.117
6	C	-0.044
7	H	0.129
8	H	0.129
9	C	-0.230
10	N	-0.464
11	C	0.332

	x	y	z	Total
	3.635	1.477	0.000	3.923
CHELPG
AIM
ESP

<r²>	155.382
(<r²>)^1/2	12.465

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

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

States and conformations

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