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	hartrees
Energy at 0K	-209.911917
Energy at 298.15K
HF Energy	-209.680974
Nuclear repulsion energy	147.396691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3123	5.75
2	A'	3221	3055	0.95
3	A'	3199	3035	3.33
4	A'	2301	2183	15.75
5	A'	1551	1471	0.61
6	A'	1416	1343	0.30
7	A'	1244	1180	1.48
8	A'	1163	1103	0.73
9	A'	1101	1044	5.39
10	A'	983	932	23.68
11	A'	831	788	1.72
12	A'	771	731	4.00
13	A'	530	503	0.57
14	A'	213	203	3.93
15	A"	3280	3112	0.24
16	A"	3195	3031	9.08
17	A"	1514	1436	2.51
18	A"	1230	1167	0.61
19	A"	1141	1082	2.15
20	A"	1114	1057	6.75
21	A"	927	880	0.18
22	A"	847	803	8.77
23	A"	550	522	0.89
24	A"	217	206	2.62

Atom	x (Å)	y (Å)	z (Å)
H1	0.328	2.031	1.269
H2	0.328	2.031	-1.269
H3	-1.121	0.920	-1.262
H4	-1.121	0.920	1.262
H5	1.659	0.334	0.000
C6	0.580	0.223	0.000
N7	-0.230	-2.258	0.000
C8	0.135	-1.151	0.000
C9	-0.230	1.262	0.748
C10	-0.230	1.262	-0.748

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5389	3.1209	1.8257	2.5035	2.2238	4.5080	3.4315	1.0841	2.2301
H2	2.5389		1.8257	3.1209	2.5035	2.2238	4.5080	3.4315	2.2301	1.0841
H3	3.1209	1.8257		2.5234	3.1090	2.2298	3.5335	2.7310	2.2247	1.0837
H4	1.8257	3.1209	2.5234		3.1090	2.2298	3.5335	2.7310	1.0837	2.2247
H5	2.5035	2.5035	3.1090	3.1090		1.0846	3.2073	2.1276	2.2340	2.2340
C6	2.2238	2.2238	2.2298	2.2298	1.0846		2.6102	1.4443	1.5149	1.5149
N7	4.5080	4.5080	3.5335	3.5335	3.2073	2.6102		1.1659	3.5984	3.5984
C8	3.4315	3.4315	2.7310	2.7310	2.1276	1.4443	1.1659		2.5521	2.5521
C9	1.0841	2.2301	2.2247	1.0837	2.2340	1.5149	3.5984	2.5521		1.4959
C10	2.2301	1.0841	1.0837	2.2247	2.2340	1.5149	3.5984	2.5521	1.4959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.745	H1	C9	C6	116.689
H1	C9	C10	118.754	H2	C10	H3	114.745
H2	C10	C6	116.689	H2	C10	C9	118.754
H3	C10	C6	117.241	H3	C10	C9	118.300
H4	C9	C6	117.241	H4	C9	C10	118.300
H5	C6	C8	113.797	H5	C6	C9	117.539
H5	C6	C10	117.539	C6	C8	N7	179.690
C6	C9	C10	60.412	C6	C10	C9	60.412
C8	C6	C9	119.165	C8	C6	C10	119.165
C9	C6	C10	59.175

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)