%chk=000210436.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210436

0 1
S 6.706594 -1.018333 1.142798
O -3.153712 -0.860835 1.233851
O 5.513569 -0.981101 -1.527504
N -1.449595 0.711323 0.820855
N 1.086894 -0.057990 -0.376503
C -0.438781 -0.112570 1.572113
C -1.342129 0.419165 -0.644670
C 0.975786 0.252096 1.085189
C 0.080963 0.747076 -1.141074
C -2.796951 0.539460 1.401894
C 2.480051 0.169340 -0.878887
C 3.165016 -1.216380 -1.000191
C -3.868842 1.477398 0.812404
C 2.982769 -1.815382 -2.392908
C -4.349572 1.241178 -0.592394
C 4.652256 -1.066767 -0.677368
C -4.042916 -1.406149 2.238607
C 5.020922 -1.027821 0.747430
C -4.577829 2.350158 -1.426069
C -4.622049 -0.046923 -1.076761
C -4.082730 -2.894456 1.938988
C -5.073470 2.168651 -2.719580
C -5.115198 -0.223176 -2.371193
C 4.262673 -0.992785 1.887513
C -5.345037 0.882598 -3.196082
C 5.054051 -0.962205 3.086275
C 6.400210 -0.974471 2.841627
H -0.619656 -1.204021 1.440825
H -0.525197 0.112549 2.655026
H -2.063478 1.062682 -1.193416
H -1.597286 -0.639126 -0.876155
H 1.727115 -0.368547 1.632040
H 1.191069 1.317610 1.320427
H 0.258513 1.842056 -1.065759
H 0.158512 0.467534 -2.214360
H -2.723059 0.749069 2.503042
H 3.070255 0.842441 -0.220585
H 2.474977 0.663206 -1.874452
H 2.699067 -1.916869 -0.257794
H -4.759561 1.437226 1.478221
H -3.472829 2.514904 0.904801
H 1.921001 -1.837142 -2.668773
H 3.360868 -2.843279 -2.439883
H 3.526308 -1.241548 -3.155566
H -3.631856 -1.191282 3.240670
H -5.031631 -0.927214 2.126918
H -4.368370 3.355667 -1.068035
H -4.423828 -0.914338 -0.439304
H -4.493812 -3.087639 0.939088
H -3.071165 -3.323497 1.945400
H -4.691274 -3.436930 2.669513
H -5.248257 3.032910 -3.357856
H -5.320792 -1.227078 -2.738757
H 3.172488 -0.979106 1.908902
H -5.731592 0.742956 -4.202560
H 4.605531 -0.934314 4.069714
H 7.201795 -0.959884 3.561709


%chk=000210436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210436

0 1
S 7.288689 0.025573 0.053597
O -3.624392 -1.258434 0.947653
O 5.218050 -1.115958 -1.832580
N -1.655116 0.135040 0.799332
N 0.985206 -0.458248 -0.246505
C -0.714661 -0.745932 1.538482
C -1.421356 0.025244 -0.665200
C 0.738306 -0.362797 1.211487
C 0.032758 0.406875 -0.989155
C -3.011763 0.082146 1.289800
C 2.394674 -0.214540 -0.619012
C 3.313585 -1.450129 -0.329895
C -3.935801 1.262965 0.873078
C 2.879866 -2.671981 -1.164847
C -4.339921 1.443829 -0.585172
C 4.762114 -1.041471 -0.648607
C -4.747946 -1.643344 1.811092
C 5.597148 -0.510269 0.443736
C -4.147959 2.700722 -1.216830
C -4.967518 0.406158 -1.327129
C -5.049736 -3.120902 1.550609
C -4.564077 2.920405 -2.549887
C -5.380987 0.622309 -2.660061
C 5.317417 -0.313151 1.799855
C -5.183790 1.879633 -3.278390
C 6.407756 0.250824 2.543547
C 7.531546 0.488360 1.758939
H -0.877417 -1.815662 1.278546
H -0.890323 -0.622984 2.624188
H -2.100695 0.705822 -1.199146
H -1.616187 -1.010604 -1.020909
H 1.417144 -1.055954 1.742902
H 0.936482 0.674155 1.588165
H 0.183306 1.488400 -0.741853
H 0.208048 0.273687 -2.072581
H -2.950678 0.116934 2.402731
H 2.809488 0.687698 -0.101502
H 2.438071 -0.016446 -1.706542
H 3.237993 -1.697018 0.746053
H -4.858831 1.153725 1.479036
H -3.438886 2.183373 1.232964
H 1.793069 -2.821355 -1.048003
H 3.409115 -3.587069 -0.843586
H 3.110543 -2.503174 -2.230908
H -4.475910 -1.477538 2.878753
H -5.643997 -1.020316 1.590667
H -3.667034 3.513781 -0.658383
H -5.095925 -0.576386 -0.863577
H -5.309227 -3.281092 0.489389
H -4.168017 -3.742116 1.784394
H -5.898066 -3.460967 2.172974
H -4.404914 3.899255 -3.016823
H -5.856903 -0.191979 -3.218934
H 4.354895 -0.566628 2.250443
H -5.508026 2.045209 -4.312015
H 6.365918 0.470070 3.612937
H 8.491674 0.902349 2.064087


