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	hartrees
Energy at 0K	-173.169097
Energy at 298.15K	-173.177514
Nuclear repulsion energy	125.687567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3523	3374	0.72
2	A	3265	3127	14.36
3	A	3166	3032	5.56
4	A	3089	2958	50.54
5	A	1656	1585	12.17
6	A	1505	1441	19.30
7	A	1410	1350	18.08
8	A	1253	1200	0.08
9	A	1182	1132	7.03
10	A	1065	1020	9.65
11	A	1025	982	7.54
12	A	851	815	66.06
13	A	830	794	74.45
14	A	769	736	3.14
15	A	401	384	5.38
16	A	3604	3452	0.91
17	A	3252	3115	0.22
18	A	3161	3027	18.58
19	A	1444	1383	1.69
20	A	1272	1218	1.28
21	A	1192	1141	0.07
22	A	1128	1081	0.41
23	A	1069	1024	0.86
24	A	924	885	8.77
25	A	837	801	1.15
26	A	395	379	6.74
27	A	273	261	30.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.320	0.419	0.000
H2	-1.263	0.967	0.000
N3	0.907	1.163	0.000
C4	-0.320	-0.877	0.750
C5	-0.320	-0.877	-0.750
H6	0.953	1.765	0.813
H7	0.953	1.765	-0.813
H8	-1.222	-1.173	1.269
H9	-1.222	-1.173	-1.269
H10	0.606	-1.145	1.243
H11	0.606	-1.145	-1.243

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0905	1.4347	1.4973	1.4973	2.0231	2.0231	2.2269	2.2269	2.2014	2.2014
H2	1.0905		2.1782	2.2026	2.2026	2.4911	2.4911	2.4883	2.4883	3.0813	3.0813
N3	1.4347	2.1782		2.4956	2.4956	1.0131	1.0131	3.4059	3.4059	2.6382	2.6382
C4	1.4973	2.2026	2.4956		1.5005	2.9332	3.3233	1.0823	2.2317	1.0821	2.2136
C5	1.4973	2.2026	2.4956	1.5005		3.3233	2.9332	2.2317	1.0823	2.2136	1.0821
H6	2.0231	2.4911	1.0131	2.9332	3.3233		1.6266	3.6838	4.2071	2.9619	3.5799
H7	2.0231	2.4911	1.0131	3.3233	2.9332	1.6266		4.2071	3.6838	3.5799	2.9619
H8	2.2269	2.4883	3.4059	1.0823	2.2317	3.6838	4.2071		2.5385	1.8285	3.1068
H9	2.2269	2.4883	3.4059	2.2317	1.0823	4.2071	3.6838	2.5385		3.1068	1.8285
H10	2.2014	3.0813	2.6382	1.0821	2.2136	2.9619	3.5799	1.8285	3.1068		2.4851
H11	2.2014	3.0813	2.6382	2.2136	1.0821	3.5799	2.9619	3.1068	1.8285	2.4851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.296	C1	N3	H7	110.296
C1	C4	C5	59.929	C1	C4	H8	118.485
C1	C4	H10	116.248	C1	C5	C4	59.929
C1	C5	H9	118.485	C1	C5	H11	116.248
H2	C1	N3	118.592	H2	C1	C4	115.784
H2	C1	C5	115.784	N3	C1	C4	116.663
N3	C1	C5	116.663	C4	C1	C5	60.142
C4	C5	H9	118.653	C4	C5	H11	117.062
C5	C4	H8	118.653	C5	C4	H10	117.062
H6	N3	H7	106.789	H8	C4	H10	115.302
H9	C5	H11	115.302

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B1B95/6-31G(2df,p)

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	0.010
2	H	0.082
3	N	-0.542
4	C	-0.262
5	C	-0.262
6	H	0.239
7	H	0.239
8	H	0.119
9	H	0.119
10	H	0.130
11	H	0.130

	x	y	z	Total
	-0.684	1.018	0.000	1.226
CHELPG
AIM
ESP

	x	y	z
x	5.435	0.547	0.000
y	0.547	5.945	0.000
z	0.000	0.000	5.645

<r²>	76.670
(<r²>)^1/2	8.756

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)