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	hartrees
Energy at 0K	-30.981996
Energy at 298.15K	-30.990302
Nuclear repulsion energy	69.715824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3486	3397	4.34
2	A	3217	3135	42.34
3	A	3108	3029	11.95
4	A	3028	2950	83.45
5	A	1690	1647	22.82
6	A	1493	1455	13.77
7	A	1401	1365	33.24
8	A	1240	1208	2.06
9	A	1170	1140	2.18
10	A	1058	1031	23.87
11	A	991	966	0.62
12	A	813	793	3.68
13	A	766	747	8.15
14	A	610	595	244.19
15	A	407	396	7.38
16	A	3610	3518	0.04
17	A	3201	3120	0.10
18	A	3097	3018	35.66
19	A	1462	1424	2.90
20	A	1236	1204	4.85
21	A	1195	1164	0.23
22	A	1128	1100	0.89
23	A	1085	1057	2.98
24	A	878	856	2.15
25	A	837	816	13.48
26	A	395	385	5.65
27	A	259	253	37.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.541	0.000
H2	-0.393	1.564	0.000
N3	1.445	0.362	0.000
C4	-0.832	-0.498	0.771
C5	-0.832	-0.498	-0.771
H6	1.916	0.672	0.847
H7	1.916	0.672	-0.847
H8	-1.727	-0.160	1.289
H9	-1.727	-0.160	-1.289
H10	-0.276	-1.289	1.266
H11	-0.276	-1.289	-1.266

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0961	1.4563	1.5381	1.5381	2.0986	2.0986	2.2656	2.2656	2.2421	2.2421
H2	1.0961		2.1963	2.2446	2.2446	2.6161	2.6161	2.5318	2.5318	3.1234	3.1234
N3	1.4563	2.1963		2.5539	2.5539	1.0168	1.0168	3.4634	3.4634	2.7008	2.7008
C4	1.5381	2.2446	2.5539		1.5416	2.9876	3.3965	1.0874	2.2707	1.0864	2.2547
C5	1.5381	2.2446	2.5539	1.5416		3.3965	2.9876	2.2707	1.0874	2.2547	1.0864
H6	2.0986	2.6161	1.0168	2.9876	3.3965		1.6934	3.7622	4.3033	2.9707	3.6212
H7	2.0986	2.6161	1.0168	3.3965	2.9876	1.6934		4.3033	3.7622	3.6212	2.9707
H8	2.2656	2.5318	3.4634	1.0874	2.2707	3.7622	4.3033		2.5776	1.8383	3.1474
H9	2.2656	2.5318	3.4634	2.2707	1.0874	4.3033	3.7622	2.5776		3.1474	1.8383
H10	2.2421	3.1234	2.7008	1.0864	2.2547	2.9707	3.6212	1.8383	3.1474		2.5320
H11	2.2421	3.1234	2.7008	2.2547	1.0864	3.6212	2.9707	3.1474	1.8383	2.5320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	114.954	C1	N3	H7	114.954
C1	C4	C5	59.924	C1	C4	H8	118.276
C1	C4	H10	116.309	C1	C5	C4	59.924
C1	C5	H9	118.276	C1	C5	H11	116.309
H2	C1	N3	118.052	H2	C1	C4	115.864
H2	C1	C5	115.864	N3	C1	C4	117.027
N3	C1	C5	117.027	C4	C1	C5	60.152
C4	C5	H9	118.445	C4	C5	H11	117.118
C5	C4	H8	118.445	C5	C4	H10	117.118
H6	N3	H7	112.766	H8	C4	H10	115.487
H9	C5	H11	115.487

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3LYP/CEP-121G

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	-0.023
2	H	0.137
3	N	-0.586
4	C	-0.313
5	C	-0.313
6	H	0.267
7	H	0.267
8	H	0.138
9	H	0.138
10	H	0.143
11	H	0.143

	x	y	z	Total
	0.264	1.223	0.000	1.251
CHELPG
AIM
ESP

	x	y	z
x	6.629	0.332	0.000
y	0.332	5.619	0.000
z	0.000	0.000	6.137

<r²>	68.492
(<r²>)^1/2	8.276

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)