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	hartrees
Energy at 0K	-173.127379
Energy at 298.15K	-173.135745
HF Energy	-173.127379
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3380	3314	8.28
2	A'	3188	3126	28.94
3	A'	3097	3036	9.93
4	A'	2996	2938	76.32
5	A'	1669	1636	10.80
6	A'	1496	1467	12.65
7	A'	1401	1373	24.10
8	A'	1231	1207	0.78
9	A'	1162	1139	7.20
10	A'	1039	1018	13.19
11	A'	1008	989	11.25
12	A'	853	837	124.14
13	A'	819	803	17.54
14	A'	765	750	3.16
15	A'	406	398	6.63
16	A"	3468	3400	1.09
17	A"	3175	3113	0.22
18	A"	3093	3032	29.69
19	A"	1451	1423	0.95
20	A"	1271	1246	0.92
21	A"	1187	1164	0.05
22	A"	1110	1088	0.40
23	A"	1045	1024	1.59
24	A"	899	881	8.56
25	A"	833	816	1.61
26	A"	394	386	9.49
27	A"	275	270	38.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.322	0.422	0.000
H2	-1.274	0.973	0.000
N3	0.917	1.172	0.000
C4	-0.322	-0.884	0.756
C5	-0.322	-0.884	-0.756
H6	0.945	1.785	0.818
H7	0.945	1.785	-0.818
H8	-1.232	-1.180	1.280
H9	-1.232	-1.180	-1.280
H10	0.610	-1.155	1.252
H11	0.610	-1.155	-1.252

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0998	1.4489	1.5089	1.5089	2.0334	2.0334	2.2430	2.2430	2.2187	2.2187
H2	1.0998		2.2002	2.2194	2.2194	2.5006	2.5006	2.5049	2.5049	3.1054	3.1054
N3	1.4489	2.2002		2.5171	2.5171	1.0231	1.0231	3.4335	3.4335	2.6607	2.6607
C4	1.5089	2.2194	2.5171		1.5120	2.9556	3.3483	1.0906	2.2496	1.0898	2.2304
C5	1.5089	2.2194	2.5171	1.5120		3.3483	2.9556	2.2496	1.0906	2.2304	1.0898
H6	2.0334	2.5006	1.0231	2.9556	3.3483		1.6369	3.7072	4.2349	2.9913	3.6122
H7	2.0334	2.5006	1.0231	3.3483	2.9556	1.6369		4.2349	3.7072	3.6122	2.9913
H8	2.2430	2.5049	3.4335	1.0906	2.2496	3.7072	4.2349		2.5602	1.8416	3.1311
H9	2.2430	2.5049	3.4335	2.2496	1.0906	4.2349	3.7072	2.5602		3.1311	1.8416
H10	2.2187	3.1054	2.6607	1.0898	2.2304	2.9913	3.6122	1.8416	3.1311		2.5047
H11	2.2187	3.1054	2.6607	2.2304	1.0898	3.6122	2.9913	3.1311	1.8416	2.5047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.579	C1	N3	H7	110.579
C1	C4	C5	60.038	C1	C4	H8	118.238
C1	C4	H10	117.427	C1	C5	C4	60.038
C1	C5	H9	118.238	C1	C5	H11	117.427
H2	C1	N3	117.967	H2	C1	C4	114.543
H2	C1	C5	114.543	N3	C1	C4	118.470
N3	C1	C5	118.470	C4	C1	C5	59.924
C4	C5	H9	119.076	C4	C5	H11	118.327
C5	C4	H8	119.076	C5	C4	H10	118.327
H6	N3	H7	108.160	H8	C4	H10	113.663
H9	C5	H11	113.663

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B97D3/6-31G*

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	-0.013
2	H	0.126
3	N	-0.707
4	C	-0.312
5	C	-0.312
6	H	0.297
7	H	0.297
8	H	0.149
9	H	0.149
10	H	0.164
11	H	0.164

	x	y	z	Total
	-0.803	1.114	0.000	1.373
CHELPG
AIM
ESP

	x	y	z
x	5.401	0.591	0.000
y	0.591	5.809	0.000
z	0.000	0.000	5.549

<r²>	77.729
(<r²>)^1/2	8.816

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)