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	hartrees
Energy at 0K	-173.159272
Energy at 298.15K	-173.167555
Nuclear repulsion energy	124.052254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3361	3342	5.40
2	A	3154	3137	21.93
3	A	3063	3046	7.71
4	A	2967	2951	61.78
5	A	1618	1609	7.07
6	A	1451	1443	10.55
7	A	1364	1356	24.94
8	A	1201	1194	0.93
9	A	1135	1129	5.38
10	A	1018	1012	12.08
11	A	988	983	7.30
12	A	823	818	105.38
13	A	791	787	18.83
14	A	743	739	2.55
15	A	394	392	5.16
16	A	3431	3413	0.37
17	A	3140	3123	0.14
18	A	3059	3042	24.38
19	A	1419	1411	0.63
20	A	1240	1233	0.89
21	A	1165	1158	0.04
22	A	1097	1091	0.23
23	A	1037	1031	0.89
24	A	860	855	5.76
25	A	813	809	2.59
26	A	383	381	5.80
27	A	260	259	29.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.323	0.424	0.000
H2	-1.276	0.974	0.000
N3	0.919	1.182	0.000
C4	-0.323	-0.890	0.761
C5	-0.323	-0.890	-0.761
H6	0.951	1.798	0.819
H7	0.951	1.798	-0.819
H8	-1.232	-1.187	1.286
H9	-1.232	-1.187	-1.286
H10	0.608	-1.165	1.259
H11	0.608	-1.165	-1.259

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1003	1.4547	1.5191	1.5191	2.0446	2.0446	2.2533	2.2533	2.2312	2.2312
H2	1.1003		2.2045	2.2281	2.2281	2.5117	2.5117	2.5153	2.5153	3.1163	3.1163
N3	1.4547	2.2045		2.5329	2.5329	1.0252	1.0252	3.4488	3.4488	2.6817	2.6817
C4	1.5191	2.2281	2.5329		1.5230	2.9751	3.3684	1.0912	2.2600	1.0906	2.2414
C5	1.5191	2.2281	2.5329	1.5230		3.3684	2.9751	2.2600	1.0912	2.2414	1.0906
H6	2.0446	2.5117	1.0252	2.9751	3.3684		1.6382	3.7276	4.2554	3.0151	3.6353
H7	2.0446	2.5117	1.0252	3.3684	2.9751	1.6382		4.2554	3.7276	3.6353	3.0151
H8	2.2533	2.5153	3.4488	1.0912	2.2600	3.7276	4.2554		2.5720	1.8408	3.1407
H9	2.2533	2.5153	3.4488	2.2600	1.0912	4.2554	3.7276	2.5720		3.1407	1.8408
H10	2.2312	3.1163	2.6817	1.0906	2.2414	3.0151	3.6353	1.8408	3.1407		2.5176
H11	2.2312	3.1163	2.6817	2.2414	1.0906	3.6353	3.0151	3.1407	1.8408	2.5176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.861	C1	N3	H7	109.861
C1	C4	C5	59.917	C1	C4	H8	118.441
C1	C4	H10	116.548	C1	C5	C4	59.917
C1	C5	H9	118.441	C1	C5	H11	116.548
H2	C1	N3	118.619	H2	C1	C4	115.631
H2	C1	C5	115.631	N3	C1	C4	116.787
N3	C1	C5	116.787	C4	C1	C5	60.167
C4	C5	H9	118.730	C4	C5	H11	117.130
C5	C4	H8	118.730	C5	C4	H10	117.130
H6	N3	H7	106.061	H8	C4	H10	115.066
H9	C5	H11	115.066

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: BLYP/6-31G(2df,p)

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	0.047
2	H	0.046
3	N	-0.461
4	C	-0.208
5	C	-0.208
6	H	0.207
7	H	0.207
8	H	0.088
9	H	0.088
10	H	0.097
11	H	0.097

	x	y	z	Total
	-0.673	0.991	0.000	1.198
CHELPG
AIM
ESP

	x	y	z
x	5.627	0.603	0.000
y	0.603	6.220	0.000
z	0.000	0.000	5.833

<r²>	78.612
(<r²>)^1/2	8.866

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)