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	hartrees
Energy at 0K	-169.979793
Energy at 298.15K	-169.988325
Nuclear repulsion energy	124.402762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3899	3184	3.97
2	A	3817	3116	0.89
3	A	3669	2995	3.60
4	A	3652	2982	5.96
5	A	2015	1645	1.69
6	A	1819	1486	5.92
7	A	1688	1378	15.83
8	A	1449	1183	3.19
9	A	1393	1138	0.79
10	A	1372	1121	13.70
11	A	1215	992	8.52
12	A	1071	875	82.40
13	A	986	805	1.78
14	A	917	749	0.26
15	A	434	354	5.22
16	A	4081	3332	3.26
17	A	3813	3113	0.37
18	A	3651	2981	6.23
19	A	1736	1417	0.00
20	A	1541	1258	0.86
21	A	1418	1158	0.11
22	A	1372	1120	0.02
23	A	1362	1112	0.25
24	A	1139	930	7.32
25	A	993	811	0.01
26	A	422	344	5.36
27	A	255	208	46.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.319	0.410	0.000
H2	-1.254	0.969	0.000
N3	0.924	1.197	0.000
C4	-0.319	-0.895	0.751
C5	-0.319	-0.895	-0.751
H6	0.895	1.828	0.818
H7	0.895	1.828	-0.818
H8	-1.222	-1.188	1.269
H9	-1.222	-1.188	-1.269
H10	0.595	-1.178	1.252
H11	0.595	-1.178	-1.252

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0887	1.4713	1.5057	1.5057	2.0377	2.0377	2.2313	2.2313	2.2198	2.2198
H2	1.0887		2.1894	2.2162	2.2162	2.4539	2.4539	2.5029	2.5029	3.0980	3.0980
N3	1.4713	2.1894		2.5467	2.5467	1.0333	1.0333	3.4499	3.4499	2.7053	2.7053
C4	1.5057	2.2162	2.5467		1.5022	2.9816	3.3687	1.0809	2.2319	1.0805	2.2201
C5	1.5057	2.2162	2.5467	1.5022		3.3687	2.9816	2.2319	1.0809	2.2201	1.0805
H6	2.0377	2.4539	1.0333	2.9816	3.3687		1.6364	3.7114	4.2342	3.0519	3.6622
H7	2.0377	2.4539	1.0333	3.3687	2.9816	1.6364		4.2342	3.7114	3.6622	3.0519
H8	2.2313	2.5029	3.4499	1.0809	2.2319	3.7114	4.2342		2.5384	1.8168	3.1075
H9	2.2313	2.5029	3.4499	2.2319	1.0809	4.2342	3.7114	2.5384		3.1075	1.8168
H10	2.2198	3.0980	2.7053	1.0805	2.2201	3.0519	3.6622	1.8168	3.1075		2.5040
H11	2.2198	3.0980	2.7053	2.2201	1.0805	3.6622	3.0519	3.1075	1.8168	2.5040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	107.606	C1	N3	H7	107.606
C1	C4	C5	60.077	C1	C4	H8	118.299
C1	C4	H10	117.306	C1	C5	C4	60.077
C1	C5	H9	118.299	C1	C5	H11	117.306
H2	C1	N3	116.778	H2	C1	C4	116.420
H2	C1	C5	116.420	N3	C1	C4	117.616
N3	C1	C5	117.616	C4	C1	C5	59.845
C4	C5	H9	118.642	C4	C5	H11	117.617
C5	C4	H8	118.642	C5	C4	H10	117.617
H6	N3	H7	104.708	H8	C4	H10	114.396
H9	C5	H11	114.396

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/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	0.015
2	H	0.052
3	N	-0.379
4	C	-0.137
5	C	-0.137
6	H	0.150
7	H	0.150
8	H	0.066
9	H	0.066
10	H	0.077
11	H	0.077

	x	y	z	Total
	-1.157	0.954	0.000	1.500
CHELPG
AIM
ESP

	x	y	z
x	2.564	0.384	0.000
y	0.384	3.085	0.000
z	0.000	0.000	2.956

<r²>	77.805
(<r²>)^1/2	8.821

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)