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	hartrees
Energy at 0K	-172.368764
Energy at 298.15K	-172.377099
Nuclear repulsion energy	126.094881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3423	3385	0.06
2	A	3168	3134	5.34
3	A	3073	3040	2.92
4	A	2984	2951	48.61
5	A	1580	1563	17.00
6	A	1450	1434	32.25
7	A	1358	1343	10.25
8	A	1224	1211	0.04
9	A	1161	1148	4.08
10	A	1029	1017	4.79
11	A	984	973	21.56
12	A	832	823	9.55
13	A	762	753	138.38
14	A	751	743	16.20
15	A	404	400	5.28
16	A	3505	3467	4.14
17	A	3157	3122	0.25
18	A	3070	3036	12.39
19	A	1374	1359	7.54
20	A	1221	1208	1.40
21	A	1148	1135	0.29
22	A	1080	1068	0.92
23	A	1019	1008	2.11
24	A	904	894	8.32
25	A	813	804	2.07
26	A	399	395	6.39
27	A	264	261	28.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.321	0.420	0.000
H2	-1.273	0.970	0.000
N3	0.900	1.148	0.000
C4	-0.321	-0.869	0.746
C5	-0.321	-0.869	-0.746
H6	0.985	1.743	0.826
H7	0.985	1.743	-0.826
H8	-1.228	-1.169	1.269
H9	-1.228	-1.169	-1.269
H10	0.616	-1.127	1.241
H11	0.616	-1.127	-1.241

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0996	1.4212	1.4890	1.4890	2.0341	2.0341	2.2267	2.2267	2.1929	2.1929
H2	1.0996		2.1799	2.2007	2.2007	2.5255	2.5255	2.4871	2.4871	3.0825	3.0825
N3	1.4212	2.1799		2.4728	2.4728	1.0213	1.0213	3.3923	3.3923	2.6070	2.6070
C4	1.4890	2.2007	2.4728		1.4918	2.9212	3.3162	1.0897	2.2304	1.0901	2.2116
C5	1.4890	2.2007	2.4728	1.4918		3.3162	2.9212	2.2304	1.0897	2.2116	1.0901
H6	2.0341	2.5255	1.0213	2.9212	3.3162		1.6516	3.6842	4.2150	2.9231	3.5558
H7	2.0341	2.5255	1.0213	3.3162	2.9212	1.6516		4.2150	3.6842	3.5558	2.9231
H8	2.2267	2.4871	3.3923	1.0897	2.2304	3.6842	4.2150		2.5386	1.8445	3.1150
H9	2.2267	2.4871	3.3923	2.2304	1.0897	4.2150	3.6842	2.5386		3.1150	1.8445
H10	2.1929	3.0825	2.6070	1.0901	2.2116	2.9231	3.5558	1.8445	3.1150		2.4821
H11	2.1929	3.0825	2.6070	2.2116	1.0901	3.5558	2.9231	3.1150	1.8445	2.4821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.730	C1	N3	H7	111.730
C1	C4	C5	59.937	C1	C4	H8	118.608
C1	C4	H10	115.611	C1	C5	C4	59.937
C1	C5	H9	118.608	C1	C5	H11	115.611
H2	C1	N3	119.164	H2	C1	C4	115.641
H2	C1	C5	115.641	N3	C1	C4	116.335
N3	C1	C5	116.335	C4	C1	C5	60.127
C4	C5	H9	118.705	C4	C5	H11	117.015
C5	C4	H8	118.705	C5	C4	H10	117.015
H6	N3	H7	107.921	H8	C4	H10	115.598
H9	C5	H11	115.598

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/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	-0.063
2	H	0.098
3	N	-0.300
4	C	-0.253
5	C	-0.253
6	H	0.144
7	H	0.144
8	H	0.122
9	H	0.122
10	H	0.119
11	H	0.119

	x	y	z	Total
	-0.587	1.095	0.000	1.243
CHELPG
AIM
ESP

	x	y	z
x	6.320	0.545	0.000
y	0.545	6.897	0.000
z	0.000	0.000	6.448

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)