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	hartrees
Energy at 0K	-170.125897
Energy at 298.15K	-170.133990
Nuclear repulsion energy	123.268641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3544	3173	4.21
2	A	3458	3096	8.83
3	A	3391	3037	4.35
4	A	3320	2973	12.71
5	A	1803	1615	2.08
6	A	1600	1433	11.59
7	A	1491	1336	10.50
8	A	1303	1166	2.85
9	A	1204	1078	0.49
10	A	1191	1066	10.04
11	A	1093	979	13.77
12	A	900	806	32.33
13	A	848	760	46.97
14	A	820	734	10.90
15	A	389	348	7.23
16	A	3639	3259	5.90
17	A	3538	3168	0.30
18	A	3383	3029	7.12
19	A	1539	1378	3.73
20	A	1386	1241	0.00
21	A	1260	1128	0.01
22	A	1187	1063	0.01
23	A	1175	1052	3.10
24	A	999	895	4.78
25	A	877	785	0.25
26	A	378	338	6.24
27	A	223	199	52.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.323	0.423	0.000
H2	-1.285	0.973	0.000
N3	0.943	1.186	0.000
C4	-0.323	-0.897	0.758
C5	-0.323	-0.897	-0.758
H6	0.875	1.846	0.830
H7	0.875	1.846	-0.830
H8	-1.237	-1.193	1.284
H9	-1.237	-1.193	-1.284
H10	0.613	-1.174	1.255
H11	0.613	-1.174	-1.255

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1075	1.4779	1.5227	1.5227	2.0362	2.0362	2.2577	2.2577	2.2366	2.2366
H2	1.1075		2.2377	2.2353	2.2353	2.4725	2.4725	2.5182	2.5182	3.1281	3.1281
N3	1.4779	2.2377		2.5530	2.5530	1.0622	1.0622	3.4731	3.4731	2.6934	2.6934
C4	1.5227	2.2353	2.5530		1.5160	2.9940	3.3882	1.0954	2.2568	1.0952	2.2368
C5	1.5227	2.2353	2.5530	1.5160		3.3882	2.9940	2.2568	1.0954	2.2368	1.0952
H6	2.0362	2.4725	1.0622	2.9940	3.3882		1.6595	3.7284	4.2617	3.0610	3.6787
H7	2.0362	2.4725	1.0622	3.3882	2.9940	1.6595		4.2617	3.7284	3.6787	3.0610
H8	2.2577	2.5182	3.4731	1.0954	2.2568	3.7284	4.2617		2.5678	1.8507	3.1413
H9	2.2577	2.5182	3.4731	2.2568	1.0954	4.2617	3.7284	2.5678		3.1413	1.8507
H10	2.2366	3.1281	2.6934	1.0952	2.2368	3.0610	3.6787	1.8507	3.1413		2.5090
H11	2.2366	3.1281	2.6934	2.2368	1.0952	3.6787	3.0610	3.1413	1.8507	2.5090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	105.396	C1	N3	H7	105.396
C1	C4	C5	60.145	C1	C4	H8	118.239
C1	C4	H10	116.423	C1	C5	C4	60.145
C1	C5	H9	118.239	C1	C5	H11	116.423
H2	C1	N3	119.188	H2	C1	C4	115.481
H2	C1	C5	115.481	N3	C1	C4	116.593
N3	C1	C5	116.593	C4	C1	C5	59.709
C4	C5	H9	118.690	C4	C5	H11	116.958
C5	C4	H8	118.690	C5	C4	H10	116.958
H6	N3	H7	102.737	H8	C4	H10	115.307
H9	C5	H11	115.307

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/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	C	-0.049
2	H	0.084
3	N	-0.385
4	C	-0.203
5	C	-0.203
6	H	0.169
7	H	0.169
8	H	0.099
9	H	0.099
10	H	0.110
11	H	0.110

	x	y	z	Total
	-1.162	1.104	0.000	1.603
CHELPG
AIM
ESP

	x	y	z
x	2.673	0.430	0.000
y	0.430	3.119	0.000
z	0.000	0.000	2.931

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)