%chk=000276415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276415

0 1
S -1.849310 -0.466681 0.827951
S 0.776963 1.105463 -1.070786
N -3.199198 1.028487 -0.879116
N 2.376597 -0.466986 0.655935
N -0.883406 1.236237 -1.236056
N 2.120376 -1.344869 1.703154
N 0.180691 -0.651586 0.952513
N 0.836355 -1.433972 1.850986
C -4.178252 0.369660 -0.079626
C -3.608219 -0.473809 0.898675
C -1.869840 0.718403 -0.567328
C -5.566497 0.502643 -0.195324
C -3.582051 1.949303 -1.968770
C -4.406997 -1.191672 1.772059
C -6.365932 -0.227784 0.692765
C -5.800376 -1.062901 1.663081
C 3.710574 -0.134885 0.215044
C 1.131369 -0.027326 0.184786
C 3.966118 0.026377 -1.155811
C 4.726534 0.010838 1.174094
C 5.260701 0.360155 -1.561342
C 6.014129 0.338616 0.743745
C 6.281514 0.518046 -0.617760
H -6.016982 1.146111 -0.943081
H -4.166729 1.415771 -2.738142
H -2.686907 2.377425 -2.459640
H -4.181784 2.786237 -1.570863
H -3.968769 -1.842551 2.527568
H -7.449907 -0.141594 0.623722
H -6.445431 -1.618561 2.340071
H 3.180629 -0.116419 -1.899454
H 4.514712 -0.137732 2.235414
H 5.473739 0.493165 -2.622879
H 6.813295 0.454812 1.477189
H 7.288393 0.777881 -0.944472


%chk=000276415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276415

0 1
S -1.740484 1.092288 1.008969
S 0.729945 1.036555 -1.152123
N -3.230080 0.437013 -1.113718
N 2.426424 -1.016421 -0.139458
N -0.970740 0.727929 -1.748730
N 2.341559 -2.391532 0.248465
N 0.322254 -1.684669 -0.516771
N 1.078019 -2.756556 0.006087
C -4.144946 0.502207 -0.041066
C -3.536371 0.835663 1.198441
C -1.903378 0.723783 -0.804975
C -5.535206 0.266711 -0.111212
C -3.626207 0.035957 -2.474474
C -4.289234 0.934379 2.378622
C -6.295737 0.366858 1.075836
C -5.684237 0.696477 2.309243
C 3.664674 -0.310101 0.021793
C 1.178181 -0.630135 -0.593590
C 4.004780 0.757827 -0.842241
C 4.546944 -0.718629 1.051008
C 5.227883 1.436778 -0.651802
C 5.769629 -0.038292 1.221221
C 6.112980 1.044564 0.377734
H -6.015534 0.012733 -1.060676
H -4.130972 -0.945666 -2.445251
H -2.713766 -0.039485 -3.083321
H -4.302548 0.787592 -2.919682
H -3.813688 1.187381 3.331148
H -7.374886 0.185393 1.036658
H -6.289221 0.768157 3.218593
H 3.344619 1.044205 -1.667778
H 4.269759 -1.557569 1.694601
H 5.491468 2.264096 -1.319010
H 6.452699 -0.352377 2.017407
H 7.061518 1.573188 0.518353


