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	hartrees
Energy at 0K	-173.254285
Energy at 298.15K	-173.262711
Nuclear repulsion energy	124.952182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3483	3347	3.11
2	A	3241	3114	20.65
3	A	3149	3025	7.06
4	A	3064	2944	59.75
5	A	1666	1601	11.77
6	A	1519	1460	14.30
7	A	1422	1366	22.70
8	A	1247	1198	0.48
9	A	1183	1137	7.63
10	A	1061	1020	13.40
11	A	1019	979	5.25
12	A	852	819	103.27
13	A	818	786	47.58
14	A	773	743	2.52
15	A	411	395	6.40
16	A	3565	3426	0.04
17	A	3229	3102	0.24
18	A	3144	3021	21.75
19	A	1468	1410	1.16
20	A	1274	1224	1.25
21	A	1203	1156	0.05
22	A	1136	1091	0.32
23	A	1077	1034	1.31
24	A	902	867	8.61
25	A	845	811	2.42
26	A	399	383	8.65
27	A	280	269	36.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.529	0.000
H2	-0.421	1.539	0.000
N3	1.436	0.381	0.000
C4	-0.791	-0.508	0.755
C5	-0.791	-0.508	-0.755
H6	1.837	0.836	0.817
H7	1.837	0.836	-0.817
H8	-1.690	-0.194	1.277
H9	-1.690	-0.194	-1.277
H10	-0.218	-1.285	1.250
H11	-0.218	-1.285	-1.250

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0941	1.4440	1.5071	1.5071	2.0341	2.0341	2.2383	2.2383	2.2143	2.2143
H2	1.0941		2.1886	2.2131	2.2131	2.5022	2.5022	2.4995	2.4995	3.0955	3.0955
N3	1.4440	2.1886		2.5140	2.5140	1.0176	1.0176	3.4257	3.4257	2.6602	2.6602
C4	1.5071	2.2131	2.5140		1.5103	2.9524	3.3444	1.0857	2.2439	1.0851	2.2256
C5	1.5071	2.2131	2.5140	1.5103		3.3444	2.9524	2.2439	1.0857	2.2256	1.0851
H6	2.0341	2.5022	1.0176	2.9524	3.3444		1.6344	3.7034	4.2295	2.9853	3.6054
H7	2.0341	2.5022	1.0176	3.3444	2.9524	1.6344		4.2295	3.7034	3.6054	2.9853
H8	2.2383	2.4995	3.4257	1.0857	2.2439	3.7034	4.2295		2.5534	1.8321	3.1210
H9	2.2383	2.4995	3.4257	2.2439	1.0857	4.2295	3.7034	2.5534		3.1210	1.8321
H10	2.2143	3.0955	2.6602	1.0851	2.2256	2.9853	3.6054	1.8321	3.1210		2.5003
H11	2.2143	3.0955	2.6602	2.2256	1.0851	3.6054	2.9853	3.1210	1.8321	2.5003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.247	C1	N3	H7	110.247
C1	C4	C5	59.929	C1	C4	H8	118.474
C1	C4	H10	116.407	C1	C5	C4	59.929
C1	C5	H9	118.474	C1	C5	H11	116.407
H2	C1	N3	118.506	H2	C1	C4	115.692
H2	C1	C5	115.692	N3	C1	C4	116.826
N3	C1	C5	116.826	C4	C1	C5	60.142
C4	C5	H9	118.712	C4	C5	H11	117.141
C5	C4	H8	118.712	C5	C4	H10	117.141
H6	N3	H7	106.841	H8	C4	H10	115.129
H9	C5	H11	115.129

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3LYP/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	0.029
2	H	0.081
3	N	-0.598
4	C	-0.215
5	C	-0.215
6	H	0.238
7	H	0.238
8	H	0.103
9	H	0.103
10	H	0.118
11	H	0.118

	x	y	z	Total
	0.057	1.324	0.000	1.325
CHELPG
AIM
ESP

	x	y	z
x	6.031	0.353	0.000
y	0.353	5.038	0.000
z	0.000	0.000	5.520

<r²>	77.561
(<r²>)^1/2	8.807

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)