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	hartrees
Energy at 0K	-206.215544
Energy at 298.15K	-206.220999
Nuclear repulsion energy	147.092185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3819	3118	4.76
2	A'	3712	3031	7.56
3	A'	3667	2994	8.76
4	A'	2752	2247	2.86
5	A'	1796	1467	0.20
6	A'	1628	1330	2.22
7	A'	1433	1170	1.26
8	A'	1384	1130	5.47
9	A'	1314	1073	0.27
10	A'	1160	948	7.39
11	A'	924	754	0.34
12	A'	885	723	3.15
13	A'	603	492	0.25
14	A'	245	200	3.49
15	A"	3815	3115	0.05
16	A"	3654	2984	11.44
17	A"	1735	1416	0.38
18	A"	1410	1152	0.09
19	A"	1368	1117	0.52
20	A"	1359	1109	0.21
21	A"	1190	971	1.91
22	A"	990	809	2.27
23	A"	628	513	1.09
24	A"	247	201	3.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.327	2.041	1.268
H2	0.327	2.041	-1.268
H3	-1.123	0.946	-1.260
H4	-1.123	0.946	1.260
H5	1.655	0.337	0.000
C6	0.576	0.229	0.000
N7	-0.226	-2.271	0.000
C8	0.130	-1.172	0.000
C9	-0.226	1.271	0.749
C10	-0.226	1.271	-0.749

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5366	3.1133	1.8172	2.5049	2.2256	4.5291	3.4602	1.0814	2.2296
H2	2.5366		1.8172	3.1133	2.5049	2.2256	4.5291	3.4602	2.2296	1.0814
H3	3.1133	1.8172		2.5192	3.1099	2.2329	3.5694	2.7641	2.2237	1.0814
H4	1.8172	3.1133	2.5192		3.1099	2.2329	3.5694	2.7641	1.0814	2.2237
H5	2.5049	2.5049	3.1099	3.1099		1.0841	3.2159	2.1457	2.2296	2.2296
C6	2.2256	2.2256	2.2329	2.2329	1.0841		2.6262	1.4708	1.5131	1.5131
N7	4.5291	4.5291	3.5694	3.5694	3.2159	2.6262		1.1554	3.6204	3.6204
C8	3.4602	3.4602	2.7641	2.7641	2.1457	1.4708	1.1554		2.5797	2.5797
C9	1.0814	2.2296	2.2237	1.0814	2.2296	1.5131	3.6204	2.5797		1.4987
C10	2.2296	1.0814	1.0814	2.2237	2.2296	1.5131	3.6204	2.5797	1.4987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.324	H1	C9	C6	117.173
H1	C9	C10	118.677	H2	C10	H3	114.324
H2	C10	C6	117.173	H2	C10	C9	118.677
H3	C10	C6	117.807	H3	C10	C9	118.151
H4	C9	C6	117.807	H4	C9	C10	118.151
H5	C6	C8	113.382	H5	C6	C9	117.330
H5	C6	C10	117.330	C6	C8	N7	179.743
C6	C9	C10	60.314	C6	C10	C9	60.314
C8	C6	C9	119.654	C8	C6	C10	119.654
C9	C6	C10	59.371

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: HF/STO-3G

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	0.083
2	H	0.083
3	H	0.086
4	H	0.086
5	H	0.096
6	C	-0.066
7	N	-0.199
8	C	0.074
9	C	-0.121
10	C	-0.121

	x	y	z	Total
	0.685	3.245	0.000	3.317
CHELPG
AIM
ESP

	x	y	z
x	2.655	0.353	0.000
y	0.353	4.603	0.000
z	0.000	0.000	2.549

<r²>	114.554
(<r²>)^1/2	10.703

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)