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	hartrees
Energy at 0K	-172.238856
Energy at 298.15K	-172.247052
Nuclear repulsion energy	125.239924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3516	3445	0.87
2	A	3212	3147	14.05
3	A	3111	3048	3.36
4	A	2981	2921	81.91
5	A	1633	1600	26.38
6	A	1473	1443	30.82
7	A	1408	1379	22.93
8	A	1270	1244	0.19
9	A	1197	1173	3.57
10	A	1046	1024	28.42
11	A	1024	1003	9.48
12	A	841	824	3.67
13	A	776	760	3.23
14	A	461	451	270.27
15	A	416	407	43.45
16	A	3637	3563	5.72
17	A	3198	3133	0.26
18	A	3104	3041	13.04
19	A	1431	1402	9.23
20	A	1211	1186	7.13
21	A	1177	1153	0.54
22	A	1109	1087	1.21
23	A	1064	1042	5.37
24	A	890	872	3.37
25	A	847	830	3.15
26	A	411	403	5.31
27	A	255	250	30.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.325	0.432	0.000
H2	-1.292	0.969	0.000
N3	0.875	1.180	0.000
C4	-0.325	-0.876	0.752
C5	-0.325	-0.876	-0.752
H6	1.135	1.659	0.859
H7	1.135	1.659	-0.859
H8	-1.233	-1.175	1.283
H9	-1.233	-1.175	-1.283
H10	0.611	-1.136	1.252
H11	0.611	-1.136	-1.252

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1057	1.4140	1.5083	1.5083	2.0920	2.0920	2.2475	2.2475	2.2141	2.2141
H2	1.1057		2.1768	2.2140	2.2140	2.6654	2.6654	2.4990	2.4990	3.1016	3.1016
N3	1.4140	2.1768		2.4960	2.4960	1.0173	1.0173	3.4107	3.4107	2.6456	2.6456
C4	1.5083	2.2140	2.4960		1.5042	2.9274	3.3395	1.0933	2.2484	1.0931	2.2271
C5	1.5083	2.2140	2.4960	1.5042		3.3395	2.9274	2.2484	1.0933	2.2271	1.0931
H6	2.0920	2.6654	1.0173	2.9274	3.3395		1.7171	3.7176	4.2693	2.8711	3.5413
H7	2.0920	2.6654	1.0173	3.3395	2.9274	1.7171		4.2693	3.7176	3.5413	2.8711
H8	2.2475	2.4990	3.4107	1.0933	2.2484	3.7176	4.2693		2.5661	1.8452	3.1349
H9	2.2475	2.4990	3.4107	2.2484	1.0933	4.2693	3.7176	2.5661		3.1349	1.8452
H10	2.2141	3.1016	2.6456	1.0931	2.2271	2.8711	3.5413	1.8452	3.1349		2.5030
H11	2.2141	3.1016	2.6456	2.2271	1.0931	3.5413	2.8711	3.1349	1.8452	2.5030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	117.814	C1	N3	H7	117.814
C1	C4	C5	60.089	C1	C4	H8	118.646
C1	C4	H10	115.751	C1	C5	C4	60.089
C1	C5	H9	118.646	C1	C5	H11	115.751
H2	C1	N3	119.010	H2	C1	C4	114.895
H2	C1	C5	114.895	N3	C1	C4	117.291
N3	C1	C5	117.291	C4	C1	C5	59.821
C4	C5	H9	119.053	C4	C5	H11	117.185
C5	C4	H8	119.053	C5	C4	H10	117.185
H6	N3	H7	115.122	H8	C4	H10	115.111
H9	C5	H11	115.111

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/6-31G

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	-0.053
2	H	0.146
3	N	-0.726
4	C	-0.327
5	C	-0.327
6	H	0.307
7	H	0.307
8	H	0.162
9	H	0.162
10	H	0.175
11	H	0.175

	x	y	z	Total
	-0.135	1.048	0.000	1.056
CHELPG
AIM
ESP

	x	y	z
x	5.487	0.671	0.000
y	0.671	5.395	0.000
z	0.000	0.000	5.401

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)