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	hartrees
Energy at 0K	-173.321306
Energy at 298.15K	-173.329710
HF Energy	-173.321306
Nuclear repulsion energy	125.240119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3461	3351	2.77
2	A'	3223	3120	20.29
3	A'	3131	3032	7.73
4	A'	3059	2962	54.37
5	A'	1663	1610	11.66
6	A'	1503	1455	12.90
7	A'	1404	1360	23.93
8	A'	1238	1199	1.03
9	A'	1170	1132	5.62
10	A'	1049	1016	14.35
11	A'	1016	984	4.45
12	A'	845	818	100.26
13	A'	817	792	37.72
14	A'	765	741	3.90
15	A'	396	383	5.36
16	A"	3536	3424	0.05
17	A"	3209	3107	0.15
18	A"	3126	3027	25.51
19	A"	1461	1415	1.63
20	A"	1267	1227	1.04
21	A"	1201	1163	0.17
22	A"	1132	1096	0.68
23	A"	1070	1036	1.33
24	A"	903	875	8.96
25	A"	837	810	2.82
26	A"	390	378	5.63
27	A"	269	261	29.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.409	0.000
H2	-1.268	0.935	0.000
N3	0.889	1.205	0.000
C4	-0.311	-0.892	0.751
C5	-0.311	-0.892	-0.751
H6	0.933	1.796	0.821
H7	0.933	1.796	-0.821
H8	-1.214	-1.180	1.276
H9	-1.214	-1.180	-1.276
H10	0.600	-1.174	1.264
H11	0.600	-1.174	-1.264

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0926	1.4399	1.5021	1.5021	2.0358	2.0358	2.2295	2.2295	2.2210	2.2210
H2	1.0926		2.1744	2.1954	2.1954	2.5018	2.5018	2.4715	2.4715	3.0884	3.0884
N3	1.4399	2.1744		2.5298	2.5298	1.0129	1.0129	3.4264	3.4264	2.7087	2.7087
C4	1.5021	2.1954	2.5298		1.5012	2.9629	3.3531	1.0839	2.2375	1.0830	2.2287
C5	1.5021	2.1954	2.5298	1.5012		3.3531	2.9629	2.2375	1.0839	2.2287	1.0830
H6	2.0358	2.5018	1.0129	2.9629	3.3531		1.6418	3.6980	4.2268	3.0213	3.6439
H7	2.0358	2.5018	1.0129	3.3531	2.9629	1.6418		4.2268	3.6980	3.6439	3.0213
H8	2.2295	2.4715	3.4264	1.0839	2.2375	3.6980	4.2268		2.5523	1.8142	3.1213
H9	2.2295	2.4715	3.4264	2.2375	1.0839	4.2268	3.6980	2.5523		3.1213	1.8142
H10	2.2210	3.0884	2.7087	1.0830	2.2287	3.0213	3.6439	1.8142	3.1213		2.5276
H11	2.2210	3.0884	2.7087	2.2287	1.0830	3.6439	3.0213	3.1213	1.8142	2.5276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.998	C1	N3	H7	110.998
C1	C4	C5	60.021	C1	C4	H8	118.211
C1	C4	H10	117.523	C1	C5	C4	60.021
C1	C5	H9	118.211	C1	C5	H11	117.523
H2	C1	N3	117.666	H2	C1	C4	114.664
H2	C1	C5	114.664	N3	C1	C4	118.590
N3	C1	C5	118.590	C4	C1	C5	59.957
C4	C5	H9	119.007	C4	C5	H11	118.284
C5	C4	H8	119.007	C5	C4	H10	118.284
H6	N3	H7	108.280	H8	C4	H10	113.700
H9	C5	H11	113.700

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: TPSSh/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	0.005
2	H	0.062
3	N	-0.301
4	C	-0.167
5	C	-0.167
6	H	0.123
7	H	0.123
8	H	0.081
9	H	0.081
10	H	0.081
11	H	0.081

	x	y	z	Total
	-0.727	1.009	0.000	1.244
CHELPG
AIM
ESP

	x	y	z
x	6.067	0.543	0.000
y	0.543	6.763	0.000
z	0.000	0.000	6.320

<r²>	77.506
(<r²>)^1/2	8.804

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)