%chk=000231442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231442

0 1
S -0.483458 -0.923980 0.005531
N -1.767634 1.426827 0.003922
N -5.445222 -0.400906 0.014686
N -4.189031 1.767199 0.008238
N -5.108940 -1.732651 0.016417
C 4.710173 -0.564727 -0.005543
C 3.429130 0.279794 -0.004634
C 5.962874 0.321476 -0.010131
C 2.175336 -0.610089 -0.000119
C 7.246501 -0.520779 -0.010617
C 0.916266 0.244745 0.000579
C 8.496575 0.356120 -0.015612
C -1.903355 0.086285 0.006614
C -3.177315 -0.516525 0.010299
C -4.302480 0.394950 0.010940
C -3.762377 -1.831133 0.013860
C -2.913994 2.210365 0.004901
H 4.724415 -1.230664 0.879050
H 4.720656 -1.234498 -0.887298
H 3.420366 0.949389 0.877538
H 3.416661 0.945682 -0.889563
H 5.955715 0.992027 0.870702
H 5.952248 0.987793 -0.894140
H 2.196046 -1.280328 -0.884779
H 2.199650 -1.276423 0.887396
H 7.257042 -1.190895 -0.892522
H 7.260792 -1.186179 0.874796
H 0.858330 0.909061 0.885349
H 0.854954 0.905565 -0.886574
H 8.537471 1.006761 0.865373
H 8.534276 1.001234 -0.900792
H 9.407465 -0.253087 -0.015344
H -3.239732 -2.777411 0.014503
H -6.412598 -0.106088 0.016115
H -2.750304 3.301192 0.002460


%chk=000231442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231442

0 1
S -0.570266 -1.161468 0.005576
N -1.742963 1.328113 0.002445
N -5.530530 -0.201228 0.016843
N -4.144113 1.840956 0.007748
N -5.346264 -1.588618 0.020005
C 4.777690 -0.581790 -0.007050
C 3.437996 0.189816 -0.005832
C 6.013244 0.346410 -0.009782
C 2.207582 -0.749927 -0.002133
C 7.354139 -0.423199 -0.011004
C 0.895690 0.050447 -0.001061
C 8.583681 0.510839 -0.013374
C -1.967292 -0.013840 0.006508
C -3.303178 -0.513806 0.011515
C -4.335428 0.488076 0.011772
C -3.997045 -1.770738 0.016709
C -2.826715 2.176894 0.003321
H 4.819655 -1.245261 0.881823
H 4.817040 -1.247093 -0.894662
H 3.398633 0.854393 0.881787
H 3.395453 0.851716 -0.895307
H 5.975775 1.012397 0.877654
H 5.973186 1.010701 -0.898380
H 2.247401 -1.410161 -0.891144
H 2.250604 -1.407173 0.888953
H 7.391123 -1.088348 -0.897884
H 7.393525 -1.086945 0.876828
H 0.789918 0.687298 0.891295
H 0.785620 0.682826 -0.896071
H 8.585575 1.165113 0.878837
H 8.583277 1.163681 -0.906638
H 9.528842 -0.062461 -0.014139
H -3.596788 -2.782514 0.018222
H -6.474570 0.179441 0.018460
H -2.593994 3.245557 -0.000237


