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	hartrees
Energy at 0K	-210.886750
Energy at 298.15K	-210.894003
HF Energy	-210.062656
Nuclear repulsion energy	158.780031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3139	3023
2	A'	3133	3018
3	A'	3066	2953
4	A'	3051	2939
5	A'	2284	2200
6	A'	1522	1466
7	A'	1518	1462
8	A'	1447	1394
9	A'	1362	1312
10	A'	1211	1166
11	A'	1134	1092
12	A'	941	906
13	A'	773	744
14	A'	539	519
15	A'	355	342
16	A'	293	282
17	A'	217	209
18	A"	3137	3022
19	A"	3128	3013
20	A"	3049	2937
21	A"	1505	1450
22	A"	1500	1445
23	A"	1424	1372
24	A"	1347	1298
25	A"	1147	1105
26	A"	986	949
27	A"	952	917
28	A"	557	537
29	A"	227	218
30	A"	182	175

Atom	x (Å)	y (Å)	z (Å)
N1	0.422	-2.180	0.000
C2	0.024	-1.085	0.000
C3	-0.449	0.312	0.000
C4	0.024	1.030	1.273
C5	0.024	1.030	-1.273
H6	-1.544	0.272	0.000
H7	-0.356	2.055	1.278
H8	-0.333	0.519	2.170
H9	1.117	1.063	1.307
H10	-0.356	2.055	-1.278
H11	-0.333	0.519	-2.170
H12	1.117	1.063	-1.307

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1644	2.6395	3.4754	3.4754	3.1423	4.4910	3.5449	3.5643	4.4910	3.5449	3.5643
C2	1.1644		1.4752	2.4685	2.4685	2.0739	3.4113	2.7228	2.7414	3.4113	2.7228	2.7414
C3	2.6395	1.4752		1.5363	1.5363	1.0956	2.1631	2.1833	2.1735	2.1631	2.1833	2.1735
C4	3.4754	2.4685	1.5363		2.5461	2.1576	1.0935	1.0923	1.0936	2.7753	3.4993	2.8018
C5	3.4754	2.4685	1.5363	2.5461		2.1576	2.7753	3.4993	2.8018	1.0935	1.0923	1.0936
H6	3.1423	2.0739	1.0956	2.1576	2.1576		2.4946	2.4975	3.0682	2.4946	2.4975	3.0682
H7	4.4910	3.4113	2.1631	1.0935	2.7753	2.4946		1.7760	1.7762	2.5555	3.7745	3.1359
H8	3.5449	2.7228	2.1833	1.0923	3.4993	2.4975	1.7760		1.7731	3.7745	4.3407	3.8063
H9	3.5643	2.7414	2.1735	1.0936	2.8018	3.0682	1.7762	1.7731		3.1359	3.8063	2.6135
H10	4.4910	3.4113	2.1631	2.7753	1.0935	2.4946	2.5555	3.7745	3.1359		1.7760	1.7762
H11	3.5449	2.7228	2.1833	3.4993	1.0923	2.4975	3.7745	4.3407	3.8063	1.7760		1.7731
H12	3.5643	2.7414	2.1735	2.8018	1.0936	3.0682	3.1359	3.8063	2.6135	1.7762	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.767	C2	C3	C4	110.092
C2	C3	C5	110.092	C2	C3	H6	106.621
C3	C4	H7	109.529	C3	C4	H8	111.196
C3	C4	H9	110.342	C3	C5	H10	109.529
C3	C5	H11	111.196	C3	C5	H12	110.342
C4	C3	C5	111.926	C4	C3	H6	108.978
C5	C3	H6	108.978	H7	C4	H8	108.685
H7	C4	H9	108.610	H8	C4	H9	108.418
H10	C5	H11	108.685	H10	C5	H12	108.610
H11	C5	H12	108.418

All results from a given calculation for CH₃CH(CH₃)CN (Propanenitrile, 2-methyl-)

using model chemistry: QCISD(T)/TZVP

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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All results from a given calculation for CH3CH(CH3)CN (Propanenitrile, 2-methyl-)

using model chemistry: QCISD(T)/TZVP

States and conformations

All results from a given calculation for CH₃CH(CH₃)CN (Propanenitrile, 2-methyl-)