%chk=000183984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183984

0 1
S -0.648314 -0.389497 1.060605
O -0.351668 -1.740743 1.508652
O -0.385601 0.735276 1.932038
O 5.662154 1.083299 -0.111054
N 0.216339 -0.129661 -0.419471
C 1.633908 0.138736 -0.295902
C 2.574931 -0.914540 -0.342898
C 2.054740 1.493763 -0.176059
C 2.142208 -2.353683 -0.440195
C 1.026933 2.586596 -0.090164
C 3.944525 -0.623644 -0.289181
C 3.421845 1.770371 -0.109236
C 4.339024 0.712802 -0.171652
C -2.280310 -0.343287 0.500505
C 1.711746 -2.720447 -1.858969
C 1.553502 4.004264 -0.282590
C -3.041837 -1.517514 0.473072
C -2.853963 0.867746 0.098596
C -4.941660 -0.272884 -0.379863
C -4.364429 -1.487178 0.033654
C -4.176566 0.906119 -0.343351
C -6.361195 -0.232935 -0.835614
H 0.046258 -0.814228 -1.177576
H 1.318756 -2.559608 0.288266
H 2.962282 -3.026983 -0.114376
H 0.222519 2.391884 -0.833233
H 0.530640 2.501143 0.912629
H 4.677048 -1.421179 -0.332984
H 3.796498 2.786585 -0.004304
H 2.528066 -2.562723 -2.575395
H 1.416177 -3.774436 -1.918966
H 0.861247 -2.116741 -2.199407
H 2.254242 4.288498 0.512518
H 0.732442 4.730032 -0.263779
H 2.073427 4.116786 -1.241434
H -2.597744 -2.464933 0.804246
H -2.267980 1.792211 0.133076
H -4.951718 -2.403357 0.017071
H -4.617056 1.851584 -0.654207
H 6.267430 0.303165 -0.136072
H -6.544145 0.556066 -1.578566
H -6.687135 -1.180058 -1.287827
H -7.035262 -0.035168 0.013598


%chk=000183984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183984

0 1
S -0.724269 -0.930673 1.031154
O -0.760436 -2.548318 1.339405
O -0.217272 0.139562 2.162160
O 5.538032 1.593491 0.057937
N 0.422397 -0.589058 -0.752963
C 1.712529 -0.105169 -0.467565
C 2.849837 -0.982877 -0.318096
C 1.881717 1.328582 -0.378089
C 2.691573 -2.497100 -0.359078
C 0.661403 2.231484 -0.453980
C 4.129152 -0.421075 -0.158177
C 3.174834 1.850321 -0.207822
C 4.287860 0.985754 -0.107121
C -2.474567 -0.443854 0.530368
C 2.664244 -3.065398 -1.806459
C 0.940015 3.718870 -0.746942
C -3.328343 -1.451053 0.052656
C -2.871460 0.895643 0.669169
C -5.094270 0.255577 -0.189870
C -4.644547 -1.086117 -0.307581
C -4.192171 1.235413 0.304208
C -6.520908 0.628923 -0.549450
H 0.444026 -1.596680 -1.014138
H 1.778072 -2.808611 0.184044
H 3.538372 -2.958511 0.181163
H -0.029526 1.808834 -1.207587
H 0.129536 2.140445 0.515646
H 5.001753 -1.080298 -0.054157
H 3.349592 2.927253 -0.151202
H 3.596613 -2.815947 -2.344267
H 2.558905 -4.164954 -1.787962
H 1.825300 -2.653768 -2.397897
H 1.513532 4.201562 0.065584
H -0.012960 4.269260 -0.846454
H 1.505093 3.848437 -1.688349
H -2.979143 -2.486924 -0.007818
H -2.179013 1.641017 1.073221
H -5.331004 -1.854832 -0.681143
H -4.526900 2.274071 0.408045
H 6.257193 0.918491 0.142097
H -6.586623 1.663091 -0.930061
H -6.936486 -0.046821 -1.316803
H -7.179376 0.563454 0.338378


