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	hartrees
Energy at 0K	-173.116101
Energy at 298.15K	-173.110659
HF Energy	-173.258423
Nuclear repulsion energy	125.054022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3485	3363	1.49
2	A	3235	3122	18.25
3	A	3142	3032	6.52
4	A	3060	2953	54.38
5	A	1660	1602	10.60
6	A	1500	1447	14.05
7	A	1409	1360	22.65
8	A	1242	1199	0.60
9	A	1176	1135	6.85
10	A	1058	1021	11.97
11	A	1018	983	4.74
12	A	848	819	99.97
13	A	816	787	38.51
14	A	768	741	2.54
15	A	407	393	5.45
16	A	3560	3435	0.17
17	A	3221	3109	0.19
18	A	3137	3027	21.19
19	A	1455	1404	1.06
20	A	1273	1228	1.21
21	A	1198	1156	0.06
22	A	1136	1096	0.27
23	A	1077	1039	0.89
24	A	899	868	7.67
25	A	841	811	2.32
26	A	396	382	6.32
27	A	270	260	30.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.528	0.000
H2	-0.419	1.537	0.000
N3	1.435	0.382	0.000
C4	-0.790	-0.508	0.755
C5	-0.790	-0.508	-0.755
H6	1.837	0.836	0.815
H7	1.837	0.836	-0.815
H8	-1.689	-0.195	1.275
H9	-1.689	-0.195	-1.275
H10	-0.220	-1.285	1.250
H11	-0.220	-1.285	-1.250

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0925	1.4421	1.5060	1.5060	2.0329	2.0329	2.2363	2.2363	2.2135	2.2135
H2	1.0925		2.1839	2.2116	2.2116	2.4988	2.4988	2.4980	2.4980	3.0934	3.0934
N3	1.4421	2.1839		2.5124	2.5124	1.0158	1.0158	3.4227	3.4227	2.6608	2.6608
C4	1.5060	2.2116	2.5124		1.5102	2.9511	3.3424	1.0843	2.2420	1.0838	2.2250
C5	1.5060	2.2116	2.5124	1.5102		3.3424	2.9511	2.2420	1.0843	2.2250	1.0838
H6	2.0329	2.4988	1.0158	2.9511	3.3424		1.6305	3.7017	4.2262	2.9860	3.6045
H7	2.0329	2.4988	1.0158	3.3424	2.9511	1.6305		4.2262	3.7017	3.6045	2.9860
H8	2.2363	2.4980	3.4227	1.0843	2.2420	3.7017	4.2262		2.5500	1.8295	3.1181
H9	2.2363	2.4980	3.4227	2.2420	1.0843	4.2262	3.7017	2.5500		3.1181	1.8295
H10	2.2135	3.0934	2.6608	1.0838	2.2250	2.9860	3.6045	1.8295	3.1181		2.5002
H11	2.2135	3.0934	2.6608	2.2250	1.0838	3.6045	2.9860	3.1181	1.8295	2.5002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.965	C1	N3	H7	110.965
C1	C4	C5	59.896	C1	C4	H8	118.465
C1	C4	H10	116.644	C1	C5	C4	59.896
C1	C5	H9	118.465	C1	C5	H11	116.644
H2	C1	N3	118.029	H2	C1	C4	115.878
H2	C1	C5	115.878	N3	C1	C4	117.016
N3	C1	C5	117.016	C4	C1	C5	60.207
C4	C5	H9	118.564	C4	C5	H11	117.388
C5	C4	H8	118.564	C5	C4	H10	117.388
H6	N3	H7	107.493	H8	C4	H10	114.946
H9	C5	H11	114.946

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: G4

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	0.032
2	H	0.067
3	N	-0.510
4	C	-0.243
5	C	-0.243
6	H	0.226
7	H	0.226
8	H	0.106
9	H	0.106
10	H	0.116
11	H	0.116

	x	y	z	Total
	0.063	1.215	0.000	1.217
CHELPG
AIM
ESP

<r²>	77.506
(<r²>)^1/2	8.804

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: G4

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)