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	hartrees
Energy at 0K	-173.201387
Energy at 298.15K	-173.209695
Nuclear repulsion energy	124.064010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3361	3348	6.79
2	A	3142	3130	26.73
3	A	3053	3041	8.57
4	A	2963	2951	67.74
5	A	1619	1613	13.00
6	A	1455	1450	12.92
7	A	1361	1356	21.98
8	A	1196	1192	1.49
9	A	1133	1128	4.65
10	A	1009	1005	19.85
11	A	979	975	6.03
12	A	820	817	101.23
13	A	790	787	34.77
14	A	746	743	3.86
15	A	400	398	5.52
16	A	3430	3417	0.50
17	A	3129	3117	0.14
18	A	3049	3037	28.16
19	A	1418	1413	2.62
20	A	1239	1234	0.56
21	A	1164	1159	0.13
22	A	1091	1087	0.50
23	A	1031	1027	2.10
24	A	857	854	5.94
25	A	814	811	5.15
26	A	385	384	6.68
27	A	269	268	34.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.325	0.424	0.000
H2	-1.275	0.975	0.000
N3	0.921	1.181	0.000
C4	-0.325	-0.890	0.761
C5	-0.325	-0.890	-0.761
H6	0.961	1.792	0.822
H7	0.961	1.792	-0.822
H8	-1.233	-1.187	1.284
H9	-1.233	-1.187	-1.284
H10	0.607	-1.159	1.256
H11	0.607	-1.159	-1.256

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0987	1.4578	1.5186	1.5186	2.0489	2.0489	2.2522	2.2522	2.2259	2.2259
H2	1.0987		2.2061	2.2275	2.2275	2.5182	2.5182	2.5157	2.5157	3.1111	3.1111
N3	1.4578	2.2061		2.5336	2.5336	1.0248	1.0248	3.4496	3.4496	2.6744	2.6744
C4	1.5186	2.2275	2.5336		1.5227	2.9742	3.3688	1.0898	2.2582	1.0892	2.2388
C5	1.5186	2.2275	2.5336	1.5227		3.3688	2.9742	2.2582	1.0898	2.2388	1.0892
H6	2.0489	2.5182	1.0248	2.9742	3.3688		1.6436	3.7286	4.2573	3.0036	3.6265
H7	2.0489	2.5182	1.0248	3.3688	2.9742	1.6436		4.2573	3.7286	3.6265	3.0036
H8	2.2522	2.5157	3.4496	1.0898	2.2582	3.7286	4.2573		2.5690	1.8410	3.1376
H9	2.2522	2.5157	3.4496	2.2582	1.0898	4.2573	3.7286	2.5690		3.1376	1.8410
H10	2.2259	3.1111	2.6744	1.0892	2.2388	3.0036	3.6265	1.8410	3.1376		2.5126
H11	2.2259	3.1111	2.6744	2.2388	1.0892	3.6265	3.0036	3.1376	1.8410	2.5126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.017	C1	N3	H7	110.017
C1	C4	C5	59.910	C1	C4	H8	118.482
C1	C4	H10	116.229	C1	C5	C4	59.910
C1	C5	H9	118.482	C1	C5	H11	116.229
H2	C1	N3	118.628	H2	C1	C4	115.728
H2	C1	C5	115.728	N3	C1	C4	116.678
N3	C1	C5	116.678	C4	C1	C5	60.179
C4	C5	H9	118.686	C4	C5	H11	117.028
C5	C4	H8	118.686	C5	C4	H10	117.028
H6	N3	H7	106.632	H8	C4	H10	115.322
H9	C5	H11	115.322

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: BLYP/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	-0.089
2	H	0.098
3	N	-0.418
4	C	-0.204
5	C	-0.204
6	H	0.185
7	H	0.185
8	H	0.109
9	H	0.109
10	H	0.114
11	H	0.114

	x	y	z	Total
	-0.742	1.100	0.000	1.327
CHELPG
AIM
ESP

	x	y	z
x	5.946	0.583	0.000
y	0.583	6.610	0.000
z	0.000	0.000	6.169

<r²>	78.914
(<r²>)^1/2	8.883

All results from a given calculation for C3H7N (Cyclopropylamine)

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

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)