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	hartrees
Energy at 0K	-173.232509
Energy at 298.15K	-173.240956
HF Energy	-173.232509
Nuclear repulsion energy	125.694135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3529	3373	0.21
2	A'	3250	3106	7.20
3	A'	3156	3016	3.37
4	A'	3111	2973	30.35
5	A'	1653	1580	18.04
6	A'	1516	1449	20.13
7	A'	1417	1354	21.81
8	A'	1258	1202	0.90
9	A'	1187	1134	5.37
10	A'	1057	1010	10.88
11	A'	1021	976	6.76
12	A'	851	814	19.51
13	A'	804	768	123.40
14	A'	771	736	6.71
15	A'	414	395	5.59
16	A"	3610	3450	6.72
17	A"	3238	3095	0.29
18	A"	3152	3012	12.27
19	A"	1458	1393	2.53
20	A"	1265	1209	1.16
21	A"	1195	1142	0.36
22	A"	1131	1081	1.07
23	A"	1068	1021	1.57
24	A"	927	886	10.39
25	A"	846	808	2.94
26	A"	406	388	5.42
27	A"	267	255	28.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.407	0.000
H2	-1.263	0.933	0.000
N3	0.887	1.199	0.000
C4	-0.311	-0.888	0.749
C5	-0.311	-0.888	-0.749
H6	0.941	1.785	0.821
H7	0.941	1.785	-0.821
H8	-1.212	-1.175	1.272
H9	-1.212	-1.175	-1.272
H10	0.599	-1.165	1.260
H11	0.599	-1.165	-1.260

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0874	1.4364	1.4954	1.4954	2.0352	2.0352	2.2205	2.2205	2.2106	2.2106
H2	1.0874		2.1663	2.1867	2.1867	2.5015	2.5015	2.4624	2.4624	3.0752	3.0752
N3	1.4364	2.1663		2.5198	2.5198	1.0106	1.0106	3.4144	3.4144	2.6939	2.6939
C4	1.4954	2.1867	2.5198		1.4972	2.9524	3.3431	1.0807	2.2306	1.0804	2.2224
C5	1.4954	2.1867	2.5198	1.4972		3.3431	2.9524	2.2306	1.0807	2.2224	1.0804
H6	2.0352	2.5015	1.0106	2.9524	3.3431		1.6427	3.6878	4.2164	3.0019	3.6263
H7	2.0352	2.5015	1.0106	3.3431	2.9524	1.6427		4.2164	3.6878	3.6263	3.0019
H8	2.2205	2.4624	3.4144	1.0807	2.2306	3.6878	4.2164		2.5433	1.8116	3.1128
H9	2.2205	2.4624	3.4144	2.2306	1.0807	4.2164	3.6878	2.5433		3.1128	1.8116
H10	2.2106	3.0752	2.6939	1.0804	2.2224	3.0019	3.6263	1.8116	3.1128		2.5194
H11	2.2106	3.0752	2.6939	2.2224	1.0804	3.6263	3.0019	3.1128	1.8116	2.5194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.367	C1	N3	H7	111.367
C1	C4	C5	59.962	C1	C4	H8	118.180
C1	C4	H10	117.327	C1	C5	C4	59.962
C1	C5	H9	118.180	C1	C5	H11	117.327
H2	C1	N3	117.602	H2	C1	C4	114.773
H2	C1	C5	114.773	N3	C1	C4	118.501
N3	C1	C5	118.501	C4	C1	C5	60.076
C4	C5	H9	118.949	C4	C5	H11	118.235
C5	C4	H8	118.949	C5	C4	H10	118.235
H6	N3	H7	108.731	H8	C4	H10	113.922
H9	C5	H11	113.922

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: M06-2X/aug-cc-pVTZ

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	0.623
2	H	0.231
3	N	-0.687
4	C	-0.794
5	C	-0.794
6	H	0.131
7	H	0.131
8	H	0.306
9	H	0.306
10	H	0.274
11	H	0.274

	x	y	z	Total
	-0.799	0.948	0.000	1.240
CHELPG
AIM
ESP

	x	y	z
x	6.347	0.473	0.000
y	0.473	7.105	0.000
z	0.000	0.000	6.601

<r²>	77.249
(<r²>)^1/2	8.789

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)