%chk=000285514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285514

0 1
S -3.559147 -2.927578 -0.168158
O -2.146520 1.066459 -2.189965
O 0.332257 1.390087 1.851711
O -3.383270 2.400796 -0.887371
O 2.418355 -2.777535 0.157730
O 0.662764 -1.805707 -0.825497
N -0.393233 0.660808 -0.185127
C -1.811523 0.833819 0.182700
C -2.532229 -0.486387 0.527652
C -2.497209 -1.517951 -0.587425
C -2.539840 1.542596 -0.960819
C 0.601306 0.937889 0.750928
C 2.023554 0.762674 0.282091
C 2.576504 -0.449320 -0.160315
C 2.839582 1.899298 0.373372
C 3.939856 -0.521781 -0.488214
C 4.191189 1.829493 0.022697
C 4.742888 0.618138 -0.404165
C -5.217673 -2.339057 -0.575147
C 1.758085 -1.676918 -0.319623
H -1.867733 1.517720 1.089880
H -3.578634 -0.247987 0.817020
H -2.067278 -0.906299 1.448323
H -2.777007 -1.085484 -1.567354
H -1.471887 -1.935728 -0.722719
H -0.206299 0.113873 -1.036228
H 2.414552 2.839799 0.736768
H 4.369061 -1.476654 -0.803049
H 4.816220 2.721489 0.092512
H 5.800167 0.559125 -0.665525
H -5.319469 -2.109092 -1.640695
H -5.497409 -1.454520 0.005755
H -5.924296 -3.144191 -0.331034
H -2.598786 1.533110 -2.944447
H 1.884302 -3.617285 0.053339


%chk=000285514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285514

0 1
S -3.516621 -2.851406 0.779105
O -1.668189 1.039937 -2.866118
O 0.046369 1.643865 1.430693
O -3.746669 1.427638 -1.909661
O 2.776920 -2.513664 -1.497473
O 0.882180 -1.295623 -1.924494
N -0.427270 0.591977 -0.570749
C -1.848657 0.918454 -0.431639
C -2.643482 -0.150427 0.390772
C -2.653343 -1.537383 -0.271388
C -2.532747 1.161204 -1.772507
C 0.447934 0.982812 0.411151
C 1.945699 0.691889 0.265609
C 2.634491 -0.357428 -0.442005
C 2.733687 1.585590 1.041290
C 4.053205 -0.462528 -0.327198
C 4.135613 1.489553 1.116463
C 4.804178 0.452744 0.428894
C -5.302612 -2.281669 0.586621
C 1.990701 -1.372319 -1.324023
H -1.911470 1.860850 0.149290
H -3.675187 0.224817 0.515226
H -2.178601 -0.208970 1.390288
H -3.156147 -1.519284 -1.255708
H -1.628878 -1.923883 -0.411497
H -0.095363 0.021315 -1.367717
H 2.192824 2.348445 1.608705
H 4.553772 -1.280132 -0.850971
H 4.698752 2.211677 1.717062
H 5.892878 0.353144 0.485714
H -5.552011 -2.181526 -0.482224
H -5.474890 -1.328937 1.110387
H -5.927409 -3.068144 1.038093
H -2.176961 1.203861 -3.706185
H 2.308505 -3.128747 -2.124205


