%chk=000280401.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280401

0 1
S 0.154117 -0.392756 -1.827933
O -0.348205 0.583166 -2.779128
O 0.655786 -1.646080 -2.340215
N 1.451214 0.503551 -1.085159
N 2.057846 -0.193130 -0.074843
C -0.944105 -0.708230 -0.536173
C -1.974537 0.203212 -0.145270
C -2.796914 -0.142981 0.966067
C -0.766326 -1.895492 0.144731
C 3.193668 0.169035 0.451362
C -2.231212 1.445396 -0.812392
C -2.587526 -1.381060 1.647204
C 3.688905 -0.676732 1.604229
C 4.057440 1.336363 0.036867
C -1.596594 -2.242298 1.242925
C -3.830147 0.752576 1.392823
C -3.228361 2.282763 -0.382393
C -4.039661 1.938223 0.738203
C 4.804552 -1.618644 1.158026
C 3.515124 2.649578 0.595619
H 0.024964 -2.599328 -0.151649
H -1.634516 1.723516 -1.694005
H -3.230092 -1.629362 2.493855
H 4.041126 -0.011600 2.418742
H 2.853313 -1.268207 2.038421
H 4.131056 1.388388 -1.069278
H 5.100615 1.182583 0.383248
H 1.958900 1.237176 -1.601102
H -1.430150 -3.190186 1.752499
H -4.444314 0.469407 2.247026
H -3.418754 3.225692 -0.896313
H -4.821122 2.626747 1.054532
H 5.674247 -1.073797 0.774497
H 5.146618 -2.246473 1.988498
H 4.460504 -2.288874 0.358526
H 2.482091 2.835288 0.274807
H 3.512524 2.646449 1.692628
H 4.122426 3.501223 0.268922


%chk=000280401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280401

0 1
S 0.181689 -0.657991 -1.853663
O -0.324792 0.307264 -3.065111
O 0.824560 -2.115435 -2.189537
N 1.430107 0.509480 -0.914859
N 2.095182 -0.203332 0.069485
C -1.119530 -0.906646 -0.500167
C -1.983928 0.159419 -0.092715
C -2.932789 -0.165918 0.962440
C -1.141960 -2.188455 0.034489
C 3.269529 0.200770 0.517503
C -1.976189 1.485713 -0.638799
C -2.958113 -1.489169 1.514519
C 3.894561 -0.619994 1.627817
C 3.981425 1.448758 0.014057
C -2.088533 -2.482570 1.062952
C -3.826478 0.852892 1.430007
C -2.862973 2.449837 -0.154178
C -3.793661 2.137107 0.885919
C 5.130411 -1.426694 1.144406
C 3.296760 2.751055 0.517407
H -0.444884 -2.945852 -0.338342
H -1.284054 1.727978 -1.449870
H -3.682831 -1.711459 2.306641
H 4.200599 0.053909 2.454014
H 3.130392 -1.311315 2.023025
H 4.004768 1.459569 -1.097792
H 5.034593 1.427134 0.345127
H 1.997676 0.936367 -1.685653
H -2.118987 -3.488687 1.492251
H -4.538992 0.602752 2.224828
H -2.850724 3.458572 -0.580681
H -4.481074 2.908499 1.249135
H 5.919485 -0.766600 0.738983
H 5.567909 -1.998144 1.982682
H 4.840550 -2.140269 0.353466
H 2.236052 2.782861 0.211438
H 3.333126 2.812176 1.619656
H 3.805619 3.641520 0.107526


