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	hartrees
Energy at 0K	-173.173656
Energy at 298.15K	-173.182112
HF Energy	-173.173656
Nuclear repulsion energy	125.596994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3536	3368	0.23
2	A'	3260	3105	9.95
3	A'	3162	3011	3.72
4	A'	3104	2956	41.80
5	A'	1655	1576	14.70
6	A'	1517	1445	19.52
7	A'	1419	1352	16.92
8	A'	1258	1199	0.06
9	A'	1191	1134	7.70
10	A'	1072	1021	9.63
11	A'	1029	980	7.88
12	A'	861	820	59.82
13	A'	835	796	82.58
14	A'	768	731	3.44
15	A'	410	391	5.45
16	A"	3619	3447	2.56
17	A"	3249	3094	0.40
18	A"	3157	3006	13.21
19	A"	1451	1382	1.70
20	A"	1274	1213	1.26
21	A"	1194	1137	0.11
22	A"	1133	1079	0.45
23	A"	1073	1022	0.87
24	A"	936	891	8.85
25	A"	841	801	1.21
26	A"	404	385	7.74
27	A"	280	266	29.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.409	0.000
H2	-1.267	0.936	0.000
N3	0.889	1.195	0.000
C4	-0.311	-0.887	0.749
C5	-0.311	-0.887	-0.749
H6	0.929	1.785	0.821
H7	0.929	1.785	-0.821
H8	-1.213	-1.176	1.274
H9	-1.213	-1.176	-1.274
H10	0.602	-1.165	1.261
H11	0.602	-1.165	-1.261

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0916	1.4341	1.4971	1.4971	2.0264	2.0264	2.2248	2.2248	2.2140	2.2140
H2	1.0916		2.1711	2.1904	2.1904	2.4939	2.4939	2.4667	2.4667	3.0816	3.0816
N3	1.4341	2.1711		2.5172	2.5172	1.0118	1.0118	3.4152	3.4152	2.6917	2.6917
C4	1.4971	2.1904	2.5172		1.4982	2.9472	3.3385	1.0833	2.2342	1.0827	2.2253
C5	1.4971	2.1904	2.5172	1.4982		3.3385	2.9472	2.2342	1.0833	2.2253	1.0827
H6	2.0264	2.4939	1.0118	2.9472	3.3385		1.6419	3.6831	4.2130	3.0012	3.6262
H7	2.0264	2.4939	1.0118	3.3385	2.9472	1.6419		4.2130	3.6831	3.6262	3.0012
H8	2.2248	2.4667	3.4152	1.0833	2.2342	3.6831	4.2130		2.5483	1.8151	3.1182
H9	2.2248	2.4667	3.4152	2.2342	1.0833	4.2130	3.6831	2.5483		3.1182	1.8151
H10	2.2140	3.0816	2.6917	1.0827	2.2253	3.0012	3.6262	1.8151	3.1182		2.5227
H11	2.2140	3.0816	2.6917	2.2253	1.0827	3.6262	3.0012	3.1182	1.8151	2.5227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.699	C1	N3	H7	110.699
C1	C4	C5	59.975	C1	C4	H8	118.243
C1	C4	H10	117.324	C1	C5	C4	59.975
C1	C5	H9	118.243	C1	C5	H11	117.324
H2	C1	N3	117.903	H2	C1	C4	114.688
H2	C1	C5	114.688	N3	C1	C4	118.344
N3	C1	C5	118.344	C4	C1	C5	60.050
C4	C5	H9	118.992	C4	C5	H11	118.235
C5	C4	H8	118.992	C5	C4	H10	118.235
H6	N3	H7	108.458	H8	C4	H10	113.854
H9	C5	H11	113.854

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: M06-2X/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	-0.002
2	H	0.093
3	N	-0.561
4	C	-0.275
5	C	-0.275
6	H	0.249
7	H	0.249
8	H	0.126
9	H	0.126
10	H	0.136
11	H	0.136

	x	y	z	Total
	-0.701	1.020	0.000	1.238
CHELPG
AIM
ESP

	x	y	z
x	5.445	0.540	0.000
y	0.540	5.914	0.000
z	0.000	0.000	5.656

<r²>	76.825
(<r²>)^1/2	8.765

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)