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	hartrees
Energy at 0K	-209.536625
Energy at 298.15K	-209.541912
HF Energy	-208.802930
Nuclear repulsion energy	147.436677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3145	2.69
2	A'	3271	3072	0.43
3	A'	3242	3045	1.93
4	A'	2208	2073	6.54
5	A'	1560	1465	0.76
6	A'	1419	1332	0.31
7	A'	1254	1178	1.18
8	A'	1164	1094	0.36
9	A'	1116	1048	8.11
10	A'	994	933	26.58
11	A'	839	788	1.52
12	A'	778	730	3.96
13	A'	520	488	0.71
14	A'	205	193	3.51
15	A"	3337	3134	0.25
16	A"	3237	3040	5.82
17	A"	1519	1427	2.48
18	A"	1237	1162	0.76
19	A"	1153	1083	3.25
20	A"	1125	1056	6.52
21	A"	940	883	1.26
22	A"	862	809	10.54
23	A"	537	504	0.22
24	A"	213	200	2.06

Atom	x (Å)	y (Å)	z (Å)
H1	-1.777	1.033	1.263
H2	-1.777	1.033	-1.263
H3	-1.251	-0.713	-1.254
H4	-1.251	-0.713	1.254
H5	0.274	1.673	0.000
C6	0.000	0.627	0.000
N7	2.025	-1.039	0.000
C8	1.117	-0.281	0.000
C9	-1.257	0.240	0.748
C10	-1.257	0.240	-0.748

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5263	3.1084	1.8242	2.4921	2.2178	4.5102	3.4204	1.0794	2.2234
H2	2.5263		1.8242	3.1084	2.4921	2.2178	4.5102	3.4204	2.2234	1.0794
H3	3.1084	1.8242		2.5075	3.0969	2.2215	3.5228	2.7144	2.2171	1.0794
H4	1.8242	3.1084	2.5075		3.0969	2.2215	3.5228	2.7144	1.0794	2.2171
H5	2.4921	2.4921	3.0969	3.0969		1.0805	3.2272	2.1278	2.2262	2.2262
C6	2.2178	2.2178	2.2215	2.2215	1.0805		2.6218	1.4397	1.5134	1.5134
N7	4.5102	4.5102	3.5228	3.5228	3.2272	2.6218		1.1822	3.6008	3.6008
C8	3.4204	3.4204	2.7144	2.7144	2.1278	1.4397	1.1822		2.5434	2.5434
C9	1.0794	2.2234	2.2171	1.0794	2.2262	1.5134	3.6008	2.5434		1.4957
C10	2.2234	1.0794	1.0794	2.2171	2.2262	1.5134	3.6008	2.5434	1.4957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.351	H1	C9	C6	116.611
H1	C9	C10	118.517	H2	C10	H3	115.351
H2	C10	C6	116.611	H2	C10	C9	118.517
H3	C10	C6	116.934	H3	C10	C9	117.951
H4	C9	C6	116.934	H4	C9	C10	117.951
H5	C6	C8	114.442	H5	C6	C9	117.260
H5	C6	C10	117.260	C6	C8	N7	179.277
C6	C9	C10	60.387	C6	C10	C9	60.387
C8	C6	C9	118.895	C8	C6	C10	118.895
C9	C6	C10	59.226

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)