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	hartrees
Energy at 0K	-208.121537
Energy at 298.15K	-208.126901
HF Energy	-207.617434
Nuclear repulsion energy	146.062855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3154	5.36
2	A'	3194	3096	0.38
3	A'	3161	3063	2.31
4	A'	2293	2223	4.75
5	A'	1547	1500	0.74
6	A'	1402	1359	0.38
7	A'	1174	1137	2.26
8	A'	1159	1124	3.28
9	A'	1134	1099	9.52
10	A'	922	894	15.05
11	A'	827	801	0.64
12	A'	751	728	5.82
13	A'	545	528	1.87
14	A'	232	224	2.47
15	A"	3239	3139	0.14
16	A"	3154	3057	6.94
17	A"	1532	1485	4.49
18	A"	1228	1190	0.84
19	A"	1170	1134	0.10
20	A"	1150	1115	12.70
21	A"	938	909	0.48
22	A"	817	792	9.77
23	A"	583	565	0.32
24	A"	235	228	1.35

Atom	x (Å)	y (Å)	z (Å)
H1	-1.820	0.997	1.279
H2	-1.820	0.997	-1.279
H3	-1.241	-0.747	-1.274
H4	-1.241	-0.747	1.274
H5	0.250	1.697	0.000
C6	0.000	0.639	0.000
N7	2.049	-0.999	0.000
C8	1.134	-0.263	0.000
C9	-1.273	0.212	0.764
C10	-1.273	0.212	-0.764

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5575	3.1456	1.8376	2.5319	2.2528	4.5373	3.4564	1.0865	2.2563
H2	2.5575		1.8376	3.1456	2.5319	2.2528	4.5373	3.4564	2.2563	1.0865
H3	3.1456	1.8376		2.5487	3.1333	2.2548	3.5366	2.7377	2.2532	1.0863
H4	1.8376	3.1456	2.5487		3.1333	2.2548	3.5366	2.7377	1.0863	2.2532
H5	2.5319	2.5319	3.1333	3.1333		1.0867	3.2406	2.1496	2.2603	2.2603
C6	2.2528	2.2528	2.2548	2.2548	1.0867		2.6233	1.4490	1.5449	1.5449
N7	4.5373	4.5373	3.5366	3.5366	3.2406	2.6233		1.1743	3.6171	3.6171
C8	3.4564	3.4564	2.7377	2.7377	2.1496	1.4490	1.1743		2.5692	2.5692
C9	1.0865	2.2563	2.2532	1.0863	2.2603	1.5449	3.6171	2.5692		1.5290
C10	2.2563	1.0865	1.0863	2.2532	2.2603	1.5449	3.6171	2.5692	1.5290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.500	H1	C9	C6	116.690
H1	C9	C10	118.250	H2	C10	H3	115.500
H2	C10	C6	116.690	H2	C10	C9	118.250
H3	C10	C6	116.875	H3	C10	C9	117.995
H4	C9	C6	116.875	H4	C9	C10	117.995
H5	C6	C8	115.194	H5	C6	C9	117.325
H5	C6	C10	117.325	C6	C8	N7	179.713
C6	C9	C10	60.341	C6	C10	C9	60.341
C8	C6	C9	118.181	C8	C6	C10	118.181
C9	C6	C10	59.317

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: QCISD/3-21G

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 C4H5N (Cyclopropanecarbonitrile)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)