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	hartrees
Energy at 0K	-172.187313
Energy at 298.15K	-172.195671
Nuclear repulsion energy	124.999712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3452	3296	1.40
2	A	3300	3151	10.56
3	A	3196	3051	4.61
4	A	3093	2954	58.71
5	A	1713	1636	11.10
6	A	1508	1440	11.27
7	A	1413	1349	24.71
8	A	1226	1171	2.36
9	A	1179	1126	1.20
10	A	1073	1025	34.84
11	A	1013	967	0.81
12	A	823	786	2.38
13	A	787	751	4.35
14	A	656	626	218.75
15	A	396	378	5.08
16	A	3552	3392	0.08
17	A	3285	3137	0.20
18	A	3190	3046	12.40
19	A	1484	1417	7.04
20	A	1282	1225	1.54
21	A	1212	1157	0.04
22	A	1146	1094	0.35
23	A	1100	1050	6.10
24	A	895	855	4.69
25	A	851	813	4.99
26	A	407	389	12.97
27	A	283	270	42.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.335	0.439	0.000
H2	-1.277	0.991	0.000
N3	0.922	1.144	0.000
C4	-0.335	-0.872	0.759
C5	-0.335	-0.872	-0.759
H6	1.071	1.702	0.841
H7	1.071	1.702	-0.841
H8	-1.241	-1.168	1.271
H9	-1.241	-1.168	-1.271
H10	0.600	-1.119	1.241
H11	0.600	-1.119	-1.241

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0910	1.4415	1.5148	1.5148	2.0680	2.0680	2.2406	2.2406	2.2008	2.2008
H2	1.0910		2.2043	2.2208	2.2208	2.5926	2.5926	2.5060	2.5060	3.0845	3.0845
N3	1.4415	2.2043		2.4938	2.4938	1.0199	1.0199	3.4117	3.4117	2.6007	2.6007
C4	1.5148	2.2208	2.4938		1.5173	2.9335	3.3402	1.0819	2.2424	1.0809	2.2210
C5	1.5148	2.2208	2.4938	1.5173		3.3402	2.9335	2.2424	1.0819	2.2210	1.0809
H6	2.0680	2.5926	1.0199	2.9335	3.3402		1.6817	3.7098	4.2472	2.8876	3.5371
H7	2.0680	2.5926	1.0199	3.3402	2.9335	1.6817		4.2472	3.7098	3.5371	2.8876
H8	2.2406	2.5060	3.4117	1.0819	2.2424	3.7098	4.2472		2.5426	1.8416	3.1145
H9	2.2406	2.5060	3.4117	2.2424	1.0819	4.2472	3.7098	2.5426		3.1145	1.8416
H10	2.2008	3.0845	2.6007	1.0809	2.2210	2.8876	3.5371	1.8416	3.1145		2.4811
H11	2.2008	3.0845	2.6007	2.2210	1.0809	3.5371	2.8876	3.1145	1.8416	2.4811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	113.205	C1	N3	H7	113.205
C1	C4	C5	59.945	C1	C4	H8	118.324
C1	C4	H10	114.932	C1	C5	C4	59.945
C1	C5	H9	118.324	C1	C5	H11	114.932
H2	C1	N3	120.383	H2	C1	C4	115.954
H2	C1	C5	115.954	N3	C1	C4	115.014
N3	C1	C5	115.014	C4	C1	C5	60.109
C4	C5	H9	118.284	C4	C5	H11	116.476
C5	C4	H8	118.284	C5	C4	H10	116.476
H6	N3	H7	111.059	H8	C4	H10	116.755
H9	C5	H11	116.755

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B1B95/3-21G*

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	-0.139
2	H	0.194
3	N	-0.683
4	C	-0.413
5	C	-0.413
6	H	0.281
7	H	0.281
8	H	0.212
9	H	0.212
10	H	0.235
11	H	0.235

	x	y	z	Total
	-0.552	1.195	0.000	1.316
CHELPG
AIM
ESP

	x	y	z
x	4.930	0.624	0.000
y	0.624	5.076	0.000
z	0.000	0.000	5.071

<r²>	76.999
(<r²>)^1/2	8.775

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)