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	hartrees
Energy at 0K	-172.155956
Energy at 298.15K	-172.164626
HF Energy	-172.155956
Nuclear repulsion energy	126.126364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3729	3380	0.12
2	A'	3364	3050	28.75
3	A'	3278	2971	10.05
4	A'	3229	2927	48.54
5	A'	1793	1625	20.60
6	A'	1639	1486	15.91
7	A'	1535	1391	23.84
8	A'	1326	1202	3.00
9	A'	1273	1154	9.56
10	A'	1165	1056	9.55
11	A'	1075	974	1.08
12	A'	916	831	110.02
13	A'	862	782	56.49
14	A'	824	747	6.21
15	A'	437	396	5.98
16	A"	3807	3451	3.29
17	A"	3349	3036	0.05
18	A"	3269	2963	30.20
19	A"	1580	1433	1.38
20	A"	1370	1242	2.51
21	A"	1300	1178	0.27
22	A"	1242	1126	0.47
23	A"	1193	1082	0.79
24	A"	975	883	11.95
25	A"	905	820	7.86
26	A"	428	388	5.40
27	A"	291	263	32.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.308	0.404	0.000
H2	-1.251	0.928	0.000
N3	0.881	1.200	0.000
C4	-0.308	-0.886	0.748
C5	-0.308	-0.886	-0.748
H6	0.929	1.781	0.808
H7	0.929	1.781	-0.808
H8	-1.203	-1.176	1.265
H9	-1.203	-1.176	-1.265
H10	0.593	-1.165	1.256
H11	0.593	-1.165	-1.256

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0783	1.4310	1.4913	1.4913	2.0205	2.0205	2.2127	2.2127	2.2030	2.2030
H2	1.0783		2.1490	2.1767	2.1767	2.4770	2.4770	2.4551	2.4551	3.0593	3.0593
N3	1.4310	2.1490		2.5152	2.5152	0.9969	0.9969	3.4038	3.4038	2.6936	2.6936
C4	1.4913	2.1767	2.5152		1.4953	2.9414	3.3271	1.0730	2.2215	1.0719	2.2147
C5	1.4913	2.1767	2.5152	1.4953		3.3271	2.9414	2.2215	1.0730	2.2147	1.0719
H6	2.0205	2.4770	0.9969	2.9414	3.3271		1.6168	3.6740	4.1940	2.9995	3.6136
H7	2.0205	2.4770	0.9969	3.3271	2.9414	1.6168		4.1940	3.6740	3.6136	2.9995
H8	2.2127	2.4551	3.4038	1.0730	2.2215	3.6740	4.1940		2.5304	1.7958	3.0953
H9	2.2127	2.4551	3.4038	2.2215	1.0730	4.1940	3.6740	2.5304		3.0953	1.7958
H10	2.2030	3.0593	2.6936	1.0719	2.2147	2.9995	3.6136	1.7958	3.0953		2.5117
H11	2.2030	3.0593	2.6936	2.2147	1.0719	3.6136	2.9995	3.0953	1.7958	2.5117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.400	C1	N3	H7	111.400
C1	C4	C5	59.910	C1	C4	H8	118.378
C1	C4	H10	117.580	C1	C5	C4	59.910
C1	C5	H9	118.378	C1	C5	H11	117.580
H2	C1	N3	117.143	H2	C1	C4	114.845
H2	C1	C5	114.845	N3	C1	C4	118.777
N3	C1	C5	118.777	C4	C1	C5	60.179
C4	C5	H9	118.838	C4	C5	H11	118.300
C5	C4	H8	118.838	C5	C4	H10	118.300
H6	N3	H7	108.381	H8	C4	H10	113.705
H9	C5	H11	113.705

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/Def2TZVPP

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	0.096
2	H	0.036
3	N	-0.427
4	C	-0.095
5	C	-0.095
6	H	0.146
7	H	0.146
8	H	0.044
9	H	0.044
10	H	0.052
11	H	0.052

	x	y	z	Total
	-0.798	1.001	0.000	1.281
CHELPG
AIM
ESP

	x	y	z
x	5.686	0.445	0.000
y	0.445	6.339	0.000
z	0.000	0.000	6.074

<r²>	76.926
(<r²>)^1/2	8.771

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)