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	hartrees
Energy at 0K	-30.094996
Energy at 298.15K	-30.103570
Nuclear repulsion energy	70.269251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3416	0.01
2	A	3442	3102	74.21
3	A	3340	3011	20.57
4	A	3290	2966	79.24
5	A	1825	1645	32.79
6	A	1642	1480	15.94
7	A	1532	1381	26.28
8	A	1344	1212	2.13
9	A	1274	1148	8.31
10	A	1188	1071	12.80
11	A	1076	970	2.11
12	A	878	792	7.83
13	A	834	752	10.79
14	A	693	625	324.41
15	A	436	393	8.25
16	A	3917	3530	3.35
17	A	3424	3086	0.01
18	A	3324	2997	46.37
19	A	1587	1431	3.19
20	A	1348	1216	8.53
21	A	1294	1166	0.34
22	A	1249	1125	1.15
23	A	1216	1096	2.72
24	A	969	873	7.29
25	A	911	821	18.87
26	A	418	377	5.48
27	A	286	258	40.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.539	0.000
H2	-0.366	1.559	0.000
N3	1.437	0.351	0.000
C4	-0.830	-0.486	0.766
C5	-0.830	-0.486	-0.766
H6	1.913	0.629	0.836
H7	1.913	0.629	-0.836
H8	-1.718	-0.149	1.279
H9	-1.718	-0.149	-1.279
H10	-0.286	-1.273	1.262
H11	-0.286	-1.273	-1.262

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0830	1.4491	1.5249	1.5249	2.0898	2.0898	2.2493	2.2493	2.2269	2.2269
H2	1.0830		2.1695	2.2319	2.2319	2.5992	2.5992	2.5259	2.5259	3.1012	3.1012
N3	1.4491	2.1695		2.5346	2.5346	1.0018	1.0018	3.4404	3.4404	2.6832	2.6832
C4	1.5249	2.2319	2.5346		1.5318	2.9614	3.3664	1.0792	2.2544	1.0778	2.2426
C5	1.5249	2.2319	2.5346	1.5318		3.3664	2.9614	2.2544	1.0792	2.2426	1.0778
H6	2.0898	2.5992	1.0018	2.9614	3.3664		1.6729	3.7393	4.2733	2.9385	3.5859
H7	2.0898	2.5992	1.0018	3.3664	2.9614	1.6729		4.2733	3.7393	3.5859	2.9385
H8	2.2493	2.5259	3.4404	1.0792	2.2544	3.7393	4.2733		2.5576	1.8199	3.1256
H9	2.2493	2.5259	3.4404	2.2544	1.0792	4.2733	3.7393	2.5576		3.1256	1.8199
H10	2.2269	3.1012	2.6832	1.0778	2.2426	2.9385	3.5859	1.8199	3.1256		2.5248
H11	2.2269	3.1012	2.6832	2.2426	1.0778	3.5859	2.9385	3.1256	1.8199	2.5248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	115.807	C1	N3	H7	115.807
C1	C4	C5	59.851	C1	C4	H8	118.479
C1	C4	H10	116.605	C1	C5	C4	59.851
C1	C5	H9	118.479	C1	C5	H11	116.605
H2	C1	N3	117.180	H2	C1	C4	116.680
H2	C1	C5	116.680	N3	C1	C4	116.892
N3	C1	C5	116.892	C4	C1	C5	60.298
C4	C5	H9	118.379	C4	C5	H11	117.432
C5	C4	H8	118.379	C5	C4	H10	117.432
H6	N3	H7	113.222	H8	C4	H10	115.066
H9	C5	H11	115.066

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/CEP-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	C	-0.008
2	H	0.170
3	N	-0.670
4	C	-0.317
5	C	-0.317
6	H	0.279
7	H	0.279
8	H	0.142
9	H	0.142
10	H	0.150
11	H	0.150

	x	y	z	Total
	0.090	1.295	0.000	1.298
CHELPG
AIM
ESP

	x	y	z
x	5.448	0.477	0.000
y	0.477	4.636	0.000
z	0.000	0.000	5.580

<r²>	67.679
(<r²>)^1/2	8.227

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)