%chk=000216032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216032

0 1
S -3.080836 1.213331 -0.660024
O 1.113291 -0.304167 -1.976706
N 0.949468 0.982733 -1.377953
N 3.001678 -0.478885 0.573421
C -0.043036 0.938021 -0.315090
C 2.326992 1.412468 -0.993865
C 2.872253 1.003424 0.386790
C -0.837854 -0.301845 -0.145598
C -1.417792 2.150941 1.379650
C -0.296967 2.059651 0.389652
C -2.237609 -0.269751 -0.222730
C -2.759162 2.390801 0.700257
C -0.199821 -1.523285 0.125027
C -2.999786 -1.425521 -0.045129
C 3.625594 -0.757133 1.903936
C 3.794537 -1.121244 -0.514604
C -0.956985 -2.683190 0.303750
C -2.353097 -2.637740 0.216221
H 3.013941 1.062573 -1.800600
H 2.307982 2.527128 -1.055081
H 3.832382 1.543093 0.547953
H 2.170335 1.355972 1.179341
H -1.463146 1.226942 1.999298
H -1.219885 2.971767 2.101710
H 0.279939 2.969646 0.249454
H -3.588761 2.327917 1.427960
H -2.799850 3.394737 0.232382
H 0.896613 -1.553006 0.181311
H -4.087647 -1.387299 -0.107704
H 2.994011 -0.326783 2.697248
H 4.649293 -0.375784 2.027139
H 3.643066 -1.847103 2.065671
H 3.199474 -1.070430 -1.447737
H 3.930753 -2.189724 -0.287571
H 4.782421 -0.678216 -0.697713
H -0.456143 -3.627470 0.510839
H -2.937578 -3.545329 0.354339
H 0.409734 -0.310437 -2.699544


%chk=000216032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216032

0 1
S -3.310478 1.165019 -0.675325
O 1.141115 -0.288316 -2.053933
N 1.001182 0.973929 -1.293678
N 3.122028 -0.570797 0.436265
C -0.088874 0.986224 -0.355607
C 2.343883 1.462519 -0.902875
C 2.937068 0.895754 0.408839
C -0.866787 -0.266824 -0.115723
C -1.534040 2.272007 1.288336
C -0.406821 2.159407 0.284007
C -2.295576 -0.278565 -0.132441
C -2.912102 2.502737 0.632729
C -0.178250 -1.476984 0.184735
C -3.000055 -1.477348 0.144711
C 3.487964 -1.041908 1.788828
C 4.042377 -1.076765 -0.602879
C -0.886648 -2.664219 0.455965
C -2.302010 -2.669688 0.431748
H 3.003664 1.269511 -1.764659
H 2.281738 2.561393 -0.789475
H 3.904064 1.441026 0.588962
H 2.256575 1.163201 1.240160
H -1.595433 1.357024 1.908051
H -1.341829 3.116020 1.980451
H 0.151954 3.072580 0.043751
H -3.718813 2.498056 1.386756
H -2.938724 3.449224 0.065256
H 0.919634 -1.454106 0.197386
H -4.094552 -1.461383 0.133317
H 2.717084 -0.725059 2.514283
H 4.476543 -0.652854 2.142668
H 3.534671 -2.145620 1.798441
H 3.627502 -0.871309 -1.602673
H 4.137284 -2.172394 -0.501149
H 5.068053 -0.632267 -0.533901
H -0.337364 -3.584452 0.684994
H -2.858855 -3.589825 0.642316
H 0.570630 -0.128148 -2.852938


