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	hartrees
Energy at 0K	-172.130753
Energy at 298.15K	-172.139450
Nuclear repulsion energy	125.910688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3722	3381	0.23
2	A	3364	3056	34.32
3	A	3275	2976	10.36
4	A	3225	2930	55.18
5	A	1797	1633	22.38
6	A	1641	1491	17.56
7	A	1533	1393	20.25
8	A	1327	1205	1.65
9	A	1275	1159	11.79
10	A	1163	1057	9.76
11	A	1078	980	2.33
12	A	934	849	129.00
13	A	869	789	38.68
14	A	828	752	5.71
15	A	436	397	6.14
16	A	3798	3451	1.29
17	A	3349	3043	0.08
18	A	3265	2966	30.33
19	A	1574	1430	1.96
20	A	1376	1251	2.35
21	A	1298	1179	0.13
22	A	1238	1125	0.25
23	A	1187	1078	0.68
24	A	977	888	14.34
25	A	905	822	6.73
26	A	427	388	7.15
27	A	303	275	36.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.318	0.415	0.000
H2	-1.250	0.964	0.000
N3	0.900	1.172	0.000
C4	-0.318	-0.878	0.751
C5	-0.318	-0.878	-0.751
H6	0.959	1.758	0.809
H7	0.959	1.758	-0.809
H8	-1.218	-1.173	1.262
H9	-1.218	-1.173	-1.262
H10	0.597	-1.150	1.245
H11	0.597	-1.150	-1.245

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0813	1.4348	1.4954	1.4954	2.0219	2.0219	2.2193	2.2193	2.1991	2.1991
H2	1.0813		2.1605	2.1964	2.1964	2.4825	2.4825	2.4823	2.4823	3.0706	3.0706
N3	1.4348	2.1605		2.5005	2.5005	1.0002	1.0002	3.4032	3.4032	2.6519	2.6519
C4	1.4954	2.1964	2.5005		1.5028	2.9295	3.3185	1.0758	2.2252	1.0749	2.2127
C5	1.4954	2.1964	2.5005	1.5028		3.3185	2.9295	2.2252	1.0758	2.2127	1.0749
H6	2.0219	2.4825	1.0002	2.9295	3.3185		1.6171	3.6791	4.1974	2.9626	3.5780
H7	2.0219	2.4825	1.0002	3.3185	2.9295	1.6171		4.1974	3.6791	3.5780	2.9626
H8	2.2193	2.4823	3.4032	1.0758	2.2252	3.6791	4.1974		2.5246	1.8152	3.0950
H9	2.2193	2.4823	3.4032	2.2252	1.0758	4.1974	3.6791	2.5246		3.0950	1.8152
H10	2.1991	3.0706	2.6519	1.0749	2.2127	2.9626	3.5780	1.8152	3.0950		2.4891
H11	2.1991	3.0706	2.6519	2.2127	1.0749	3.5780	2.9626	3.0950	1.8152	2.4891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.011	C1	N3	H7	111.011
C1	C4	C5	59.836	C1	C4	H8	118.429
C1	C4	H10	116.698	C1	C5	C4	59.836
C1	C5	H9	118.429	C1	C5	H11	116.698
H2	C1	N3	117.654	H2	C1	C4	116.025
H2	C1	C5	116.025	N3	C1	C4	117.144
N3	C1	C5	117.144	C4	C1	C5	60.328
C4	C5	H9	118.352	C4	C5	H11	117.309
C5	C4	H8	118.352	C5	C4	H10	117.309
H6	N3	H7	107.873	H8	C4	H10	115.137
H9	C5	H11	115.137

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/6-311G**

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	-0.039
2	H	0.093
3	N	-0.488
4	C	-0.198
5	C	-0.198
6	H	0.189
7	H	0.189
8	H	0.107
9	H	0.107
10	H	0.119
11	H	0.119

	x	y	z	Total
	-0.827	1.076	0.000	1.357
CHELPG
AIM
ESP

	x	y	z
x	5.289	0.457	0.000
y	0.457	5.849	0.000
z	0.000	0.000	5.667

<r²>	76.978
(<r²>)^1/2	8.774

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)