%chk=000281344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281344

0 1
S 5.228068 0.110712 -0.039961
O -4.358297 2.051401 -0.297475
O -2.967077 1.779987 1.432726
O -4.401892 -1.151414 0.956117
O 5.727628 -0.687950 -1.140522
O 5.651195 1.481510 0.150593
N -1.470122 0.258157 -0.678357
N -0.701180 -0.246763 0.156666
N 5.685861 -0.725198 1.390621
C -2.927873 0.122063 -0.436766
C -3.654482 0.288313 -1.790240
C -4.694407 1.393592 -1.557678
C -3.375441 1.371499 0.386971
C -3.432395 -1.185851 0.243570
C -2.699437 -2.438938 -0.098407
C 0.726465 -0.091551 -0.006798
C 3.501830 0.036283 -0.027364
C 1.370734 0.966296 0.656822
C 1.454552 -1.078007 -0.693516
C 2.765179 1.020727 0.640652
C 2.848481 -1.004642 -0.695421
H -4.125134 -0.649360 -2.134437
H -2.938579 0.577219 -2.589544
H -4.666992 2.201227 -2.307699
H -5.722668 1.014633 -1.425865
H -2.322076 -2.468766 -1.126730
H -1.830035 -2.571486 0.572836
H -3.338394 -3.324107 0.056508
H 0.789918 1.729214 1.178573
H 0.943686 -1.884269 -1.215716
H 3.279427 1.848759 1.144634
H 3.429988 -1.762192 -1.236262
H 6.173639 -1.613147 1.294746
H 6.111927 -0.191648 2.145424


%chk=000281344-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281344

0 1
S 5.321880 0.195682 0.224052
O -4.320721 1.920484 -1.400244
O -2.734779 2.467156 0.203956
O -4.638351 -0.367238 0.899487
O 5.821985 0.564470 -1.280878
O 5.788540 1.001426 1.559166
N -1.395116 0.020183 -0.858447
N -0.769447 0.151127 0.274578
N 5.753236 -1.574834 0.495753
C -2.866499 0.107103 -0.696914
C -3.572259 -0.284137 -2.024441
C -4.778865 0.675855 -2.089517
C -3.266901 1.631855 -0.531115
C -3.505877 -0.708555 0.475268
C -2.787508 -1.945165 0.975525
C 0.668354 0.150136 0.167246
C 3.434116 0.166934 0.205685
C 1.352209 0.355758 1.391890
C 1.385763 -0.028895 -1.048627
C 2.762524 0.368283 1.420667
C 2.792043 -0.023448 -1.031966
H -3.882643 -1.341748 -2.062555
H -2.860485 -0.095167 -2.846716
H -5.061931 0.971134 -3.110412
H -5.653659 0.298884 -1.535315
H -2.288016 -2.491888 0.155958
H -1.997388 -1.638060 1.684624
H -3.506871 -2.596396 1.495897
H 0.762766 0.515079 2.299699
H 0.828767 -0.164942 -1.979920
H 3.321026 0.551480 2.343534
H 3.381900 -0.136620 -1.947110
H 6.312738 -1.893289 -0.313615
H 6.261567 -1.646342 1.393506


