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	hartrees
Energy at 0K	-172.152381
Energy at 298.15K	-172.161058
Nuclear repulsion energy	126.093681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3724	3391	0.23
2	A	3361	3060	28.17
3	A	3276	2982	10.02
4	A	3229	2940	44.58
5	A	1792	1632	21.41
6	A	1638	1491	16.13
7	A	1532	1395	25.60
8	A	1325	1207	3.17
9	A	1271	1158	8.69
10	A	1164	1060	9.74
11	A	1073	977	0.66
12	A	912	830	100.51
13	A	860	783	60.25
14	A	822	749	6.03
15	A	436	397	5.93
16	A	3802	3461	4.28
17	A	3346	3046	0.04
18	A	3266	2974	29.85
19	A	1580	1438	1.34
20	A	1368	1246	2.20
21	A	1299	1182	0.32
22	A	1241	1129	0.58
23	A	1192	1085	0.81
24	A	974	886	12.10
25	A	904	823	7.57
26	A	427	389	5.16
27	A	289	263	31.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.317	0.412	0.000
H2	-1.246	0.959	0.000
N3	0.895	1.177	0.000
C4	-0.317	-0.878	0.750
C5	-0.317	-0.878	-0.750
H6	0.964	1.757	0.809
H7	0.964	1.757	-0.809
H8	-1.215	-1.171	1.260
H9	-1.215	-1.171	-1.260
H10	0.595	-1.153	1.244
H11	0.595	-1.153	-1.244

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0782	1.4330	1.4919	1.4919	2.0260	2.0260	2.2133	2.2133	2.1966	2.1966
H2	1.0782		2.1520	2.1906	2.1906	2.4853	2.4853	2.4745	2.4745	3.0647	3.0647
N3	1.4330	2.1520		2.5006	2.5006	0.9977	0.9977	3.3986	3.3986	2.6577	2.6577
C4	1.4919	2.1906	2.5006		1.5002	2.9304	3.3187	1.0733	2.2207	1.0725	2.2096
C5	1.4919	2.1906	2.5006	1.5002		3.3187	2.9304	2.2207	1.0733	2.2096	1.0725
H6	2.0260	2.4853	0.9977	2.9304	3.3187		1.6174	3.6777	4.1953	2.9651	3.5798
H7	2.0260	2.4853	0.9977	3.3187	2.9304	1.6174		4.1953	3.6777	3.5798	2.9651
H8	2.2133	2.4745	3.3986	1.0733	2.2207	3.6777	4.1953		2.5193	1.8098	3.0890
H9	2.2133	2.4745	3.3986	2.2207	1.0733	4.1953	3.6777	2.5193		3.0890	1.8098
H10	2.1966	3.0647	2.6577	1.0725	2.2096	2.9651	3.5798	1.8098	3.0890		2.4875
H11	2.1966	3.0647	2.6577	2.2096	1.0725	3.5798	2.9651	3.0890	1.8098	2.4875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.666	C1	N3	H7	111.666
C1	C4	C5	59.816	C1	C4	H8	118.354
C1	C4	H10	116.923	C1	C5	C4	59.816
C1	C5	H9	118.354	C1	C5	H11	116.923
H2	C1	N3	117.254	H2	C1	C4	116.001
H2	C1	C5	116.001	N3	C1	C4	117.487
N3	C1	C5	117.487	C4	C1	C5	60.369
C4	C5	H9	118.344	C4	C5	H11	117.404
C5	C4	H8	118.344	C5	C4	H10	117.404
H6	N3	H7	108.304	H8	C4	H10	115.002
H9	C5	H11	115.002

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/aug-cc-pVTZ

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	0.323
2	H	0.386
3	N	-0.587
4	C	-0.937
5	C	-0.937
6	H	0.111
7	H	0.111
8	H	0.405
9	H	0.405
10	H	0.360
11	H	0.360

	x	y	z
x	5.940	0.406	0.000
y	0.406	6.645	0.000
z	0.000	0.000	6.268

<r²>	77.016
(<r²>)^1/2	8.776

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)