%chk=000218929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218929

0 1
S 8.673486 0.332403 -1.623437
O -1.488044 -1.096181 -0.167486
N 7.026884 0.324881 0.498765
N -3.117430 0.560335 0.131634
C 5.881701 -0.589181 0.175523
C 4.567156 0.200372 0.295998
C 3.356716 -0.712154 0.065631
C 8.257669 -0.420041 0.909722
C 2.041477 0.069169 0.187616
C 7.387677 1.214876 -0.615475
C 9.073734 -0.866671 -0.309632
C 0.832167 -0.843719 -0.041689
C -0.468442 -0.058046 0.083776
C -2.791764 -0.714478 -0.128094
C -5.481980 -0.109972 -0.085511
C -5.068797 -1.466750 -0.359862
C -3.728601 -1.771136 -0.381694
C -4.474327 0.871029 0.154340
C -6.846794 0.301087 -0.041833
C -6.087722 -2.525651 -0.616749
C -4.843713 2.227386 0.429955
C -7.183047 1.606991 0.224142
C -6.169414 2.578692 0.462229
H 5.968751 -1.050862 -0.831905
H 5.878707 -1.425866 0.907591
H 4.555762 1.038816 -0.426706
H 4.510929 0.673060 1.297574
H 3.422447 -1.183915 -0.934403
H 3.366441 -1.545981 0.794567
H 8.856764 0.273968 1.544477
H 7.989675 -1.279614 1.557270
H 2.030116 0.903147 -0.541717
H 1.976120 0.540764 1.188241
H 6.533138 1.482952 -1.263392
H 7.835528 2.147120 -0.213224
H 10.159069 -0.854459 -0.114902
H 8.806421 -1.881678 -0.648576
H 0.884807 -1.321257 -1.041303
H 0.831822 -1.684062 0.682007
H -0.642863 0.357568 1.090121
H -0.587685 0.731084 -0.677101
H -3.347554 -2.768411 -0.580988
H -7.626279 -0.438364 -0.223311
H -5.637522 -3.509617 -0.810742
H -6.763440 -2.648534 0.243234
H -6.707736 -2.280920 -1.492533
H -4.048175 2.951313 0.608592
H -8.224776 1.918597 0.257001
H -6.467358 3.606414 0.670459


%chk=000218929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218929

0 1
S 8.574545 0.198982 -1.863655
O -1.533651 -1.243609 -0.171406
N 7.126394 0.429057 0.496851
N -3.134305 0.464998 0.143665
C 5.959981 -0.478588 0.283862
C 4.609152 0.256927 0.383395
C 3.413890 -0.697010 0.160429
C 8.380966 -0.269181 0.866886
C 2.045593 0.013172 0.262745
C 7.442154 1.283345 -0.621044
C 8.992652 -0.944834 -0.409774
C 0.859563 -0.944526 0.003914
C -0.486348 -0.227266 0.115137
C -2.852884 -0.810503 -0.140006
C -5.544918 -0.107467 -0.121714
C -5.185141 -1.481551 -0.423862
C -3.834358 -1.819416 -0.429372
C -4.477487 0.831393 0.156940
C -6.896651 0.358142 -0.085662
C -6.247486 -2.518735 -0.723235
C -4.800656 2.190101 0.459317
C -7.189501 1.694072 0.213007
C -6.133430 2.615268 0.487418
H 6.033414 -0.995921 -0.701807
H 6.001713 -1.255908 1.070101
H 4.564393 1.072936 -0.365913
H 4.537824 0.737379 1.378412
H 3.503468 -1.174012 -0.837767
H 3.453585 -1.520430 0.903930
H 9.095935 0.480037 1.253805
H 8.184552 -1.007492 1.663041
H 2.012613 0.850114 -0.465603
H 1.944439 0.470628 1.268719
H 6.556180 1.614984 -1.178219
H 8.074293 2.131852 -0.322451
H 10.086982 -1.040957 -0.329556
H 8.544882 -1.933785 -0.601166
H 0.949322 -1.389796 -1.005859
H 0.885363 -1.782127 0.727744
H -0.659411 0.189278 1.125294
H -0.583251 0.600117 -0.612886
H -3.493975 -2.834843 -0.648941
H -7.713423 -0.341248 -0.294627
H -5.793611 -3.501765 -0.929900
H -6.944608 -2.637050 0.127612
H -6.854166 -2.231474 -1.602681
H -3.972470 2.875200 0.665427
H -8.229751 2.036704 0.237002
H -6.370666 3.659308 0.720653


