%chk=000201340.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201340

0 1
S -2.097143 -2.689898 0.592546
O 0.006430 0.808192 0.090091
O -1.936387 -2.290154 1.975000
O -3.434142 -2.962357 0.088015
N -5.426223 1.197955 -1.158800
C 3.012447 1.234959 0.066137
C 4.334122 0.538958 0.414810
C 2.023803 1.182735 1.237098
C 5.319134 0.589397 -0.760671
C 0.683977 1.827515 0.890618
C 6.642440 -0.108466 -0.416100
C -2.045474 -0.204545 -0.458345
C -1.322401 -1.511274 -0.473035
C -1.346805 0.989951 -0.145826
C 7.626154 -0.061303 -1.583113
C -3.400790 -0.123222 -0.770624
C -1.993141 2.228959 -0.136422
C -4.063447 1.123626 -0.757283
C -3.354717 2.297034 -0.437273
C -1.126526 -4.132535 0.331606
H 2.551066 0.757695 -0.822401
H 3.203779 2.286154 -0.223022
H 4.142559 -0.513482 0.699919
H 4.787606 1.014219 1.306056
H 2.451972 1.682869 2.127686
H 1.846992 0.127290 1.535822
H 4.867040 0.116223 -1.653515
H 5.513831 1.641125 -1.046192
H 0.783876 2.734107 0.271403
H 0.077883 2.036967 1.788747
H 7.097541 0.366522 0.475101
H 6.450239 -1.161540 -0.131979
H -1.261498 -1.872763 -1.521583
H -0.255839 -1.337127 -0.184076
H 7.221674 -0.556767 -2.473006
H 8.567184 -0.561571 -1.328392
H 7.869103 0.969582 -1.865063
H -3.959908 -1.035581 -1.011408
H -1.449908 3.141067 0.095222
H -3.858304 3.260530 -0.434705
H -1.392181 -4.932521 1.041237
H -1.265692 -4.577984 -0.660752
H -0.051227 -3.978608 0.471159
H -5.947325 0.334462 -1.062306
H -5.944671 1.977401 -0.776982


%chk=000201340-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201340

0 1
S -1.536401 -2.981811 -0.231855
O -0.016784 0.491799 0.490961
O -3.094350 -3.408393 -0.511661
O -0.322338 -4.041081 -0.524423
N -5.391579 1.290972 -1.103792
C 2.947966 0.933565 0.155672
C 4.371959 0.368834 0.355305
C 2.139882 1.000330 1.470499
C 5.193315 0.319330 -0.952752
C 0.705742 1.503903 1.288845
C 6.610230 -0.268695 -0.762811
C -1.946081 -0.156390 -0.794072
C -1.169416 -1.310816 -1.301877
C -1.343299 0.776015 0.106526
C 7.426035 -0.307380 -2.073124
C -3.295474 0.024683 -1.180551
C -2.087397 1.888573 0.559129
C -4.059941 1.128008 -0.714288
C -3.427459 2.062624 0.154010
C -1.412048 -2.447833 1.604807
H 2.400866 0.306564 -0.574609
H 3.012775 1.949942 -0.286708
H 4.302578 -0.653683 0.781818
H 4.913682 0.983625 1.105102
H 2.648849 1.675863 2.188361
H 2.108455 -0.000901 1.943940
H 4.646275 -0.284425 -1.706518
H 5.275987 1.343022 -1.374815
H 0.686875 2.474690 0.750098
H 0.197127 1.627275 2.267578
H 7.154668 0.329699 -0.003666
H 6.525656 -1.294080 -0.348398
H -1.477831 -1.682648 -2.290643
H -0.079685 -1.222771 -1.201156
H 6.916754 -0.923195 -2.838298
H 8.432815 -0.734650 -1.911471
H 7.553118 0.709018 -2.491589
H -3.753019 -0.716792 -1.845915
H -1.640493 2.625169 1.232759
H -3.989478 2.931010 0.518454
H -1.494319 -3.388278 2.167434
H -0.436674 -1.958806 1.729950
H -2.253698 -1.769726 1.797743
H -5.850925 0.594648 -1.682835
H -5.945817 2.066990 -0.755768


