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	hartrees
Energy at 0K	-173.212821
Energy at 298.15K	-173.221084
Nuclear repulsion energy	123.752903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3552	3414	0.46
2	A	3278	3151	35.94
3	A	3169	3046	10.25
4	A	3088	2969	72.36
5	A	1681	1616	24.80
6	A	1503	1445	18.14
7	A	1416	1361	27.60
8	A	1262	1213	3.07
9	A	1183	1137	5.18
10	A	1074	1032	32.34
11	A	1003	964	0.13
12	A	822	791	2.94
13	A	774	744	8.35
14	A	569	547	272.76
15	A	413	397	11.00
16	A	3676	3533	1.88
17	A	3261	3134	0.05
18	A	3158	3035	27.57
19	A	1471	1414	7.64
20	A	1235	1187	7.77
21	A	1202	1155	0.50
22	A	1138	1094	1.45
23	A	1101	1059	6.88
24	A	883	848	0.70
25	A	847	814	13.87
26	A	399	383	4.93
27	A	261	250	37.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.542	0.000
H2	-0.425	1.551	0.000
N3	1.441	0.415	0.000
C4	-0.801	-0.513	0.767
C5	-0.801	-0.513	-0.767
H6	1.909	0.714	0.850
H7	1.909	0.714	-0.850
H8	-1.703	-0.201	1.286
H9	-1.703	-0.201	-1.286
H10	-0.228	-1.290	1.262
H11	-0.228	-1.290	-1.262

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0944	1.4466	1.5312	1.5312	2.0970	2.0970	2.2597	2.2597	2.2368	2.2368
H2	1.0944		2.1845	2.2338	2.2338	2.6216	2.6216	2.5208	2.5208	3.1151	3.1151
N3	1.4466	2.1845		2.5453	2.5453	1.0153	1.0153	3.4524	3.4524	2.6993	2.6993
C4	1.5312	2.2338	2.5453		1.5340	2.9767	3.3865	1.0863	2.2637	1.0854	2.2469
C5	1.5312	2.2338	2.5453	1.5340		3.3865	2.9767	2.2637	1.0863	2.2469	1.0854
H6	2.0970	2.6216	1.0153	2.9767	3.3865		1.6997	3.7520	4.2951	2.9588	3.6115
H7	2.0970	2.6216	1.0153	3.3865	2.9767	1.6997		4.2951	3.7520	3.6115	2.9588
H8	2.2597	2.5208	3.4524	1.0863	2.2637	3.7520	4.2951		2.5712	1.8345	3.1390
H9	2.2597	2.5208	3.4524	2.2637	1.0863	4.2951	3.7520	2.5712		3.1390	1.8345
H10	2.2368	3.1151	2.6993	1.0854	2.2469	2.9588	3.6115	1.8345	3.1390		2.5232
H11	2.2368	3.1151	2.6993	2.2469	1.0854	3.6115	2.9588	3.1390	1.8345	2.5232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	115.704	C1	N3	H7	115.704
C1	C4	C5	59.939	C1	C4	H8	118.386
C1	C4	H10	116.447	C1	C5	C4	59.939
C1	C5	H9	118.386	C1	C5	H11	116.447
H2	C1	N3	117.901	H2	C1	C4	115.585
H2	C1	C5	115.585	N3	C1	C4	117.438
N3	C1	C5	117.438	C4	C1	C5	60.121
C4	C5	H9	118.516	C4	C5	H11	117.110
C5	C4	H8	118.516	C5	C4	H10	117.110
H6	N3	H7	113.665	H8	C4	H10	115.295
H9	C5	H11	115.295

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3LYP/LANL2DZ

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	-0.129
2	H	0.214
3	N	-0.599
4	C	-0.446
5	C	-0.446
6	H	0.265
7	H	0.265
8	H	0.211
9	H	0.211
10	H	0.227
11	H	0.227

	x	y	z	Total
	0.205	1.174	0.000	1.192
CHELPG
AIM
ESP

	x	y	z
x	5.837	0.422	0.000
y	0.422	4.857	0.000
z	0.000	0.000	5.581

<r²>	78.904
(<r²>)^1/2	8.883

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)