%chk=000291554.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291554

0 1
S 3.192821 -1.829663 0.281935
S -3.301680 1.769037 0.179096
O 4.220707 -2.740375 0.739260
O 2.251012 -2.223445 -0.743178
O -4.394608 2.573545 0.698223
O -2.423227 2.331490 -0.812214
N 2.301992 -1.496619 1.718192
N -2.409727 1.510898 1.659680
N -0.919374 0.020315 0.622260
C 3.884658 -0.307991 -0.134168
C 1.086390 -0.760638 1.743791
C -3.896564 0.233148 -0.301465
C -1.230326 0.755839 1.738989
C 0.739373 -0.020328 2.895945
C -0.422823 0.739039 2.905487
C 0.204835 -0.730347 0.637328
C 5.195557 -0.013149 0.258275
C 3.144545 0.626621 -0.866610
C -5.114488 -0.228306 0.217296
C -3.184039 -0.547293 -1.217659
C 5.763382 1.219492 -0.073434
C 3.710870 1.861458 -1.196823
C -5.613835 -1.471005 -0.174028
C -3.684586 -1.794584 -1.610037
C 5.018928 2.157201 -0.798975
C -4.894997 -2.255194 -1.086796
H 2.573279 -1.931617 2.605751
H -2.663912 2.055656 2.492937
H 1.384566 -0.040144 3.774518
H -0.703075 1.312546 3.784222
H 0.392036 -1.329874 -0.274862
H 5.781444 -0.751073 0.818481
H 2.123289 0.396802 -1.191084
H -5.680687 0.390807 0.922175
H -2.231345 -0.186550 -1.626946
H 6.783898 1.449065 0.230211
H 3.131221 2.590709 -1.763516
H -6.559690 -1.830543 0.227180
H -3.125058 -2.403807 -2.318859
H 5.461082 3.121011 -1.056661
H -5.284447 -3.228234 -1.389617


%chk=000291554-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291554

0 1
S 3.757549 -1.948912 0.242425
S -2.290129 1.400106 0.114509
O 5.315442 -2.319960 0.521849
O 2.826071 -2.763143 -0.804287
O -2.986220 2.849467 0.376233
O -0.935407 1.296531 -0.782514
N 2.853588 -2.191060 2.035117
N -1.922496 0.731043 1.931248
N -0.596069 -1.102035 1.276340
C 3.617177 -0.099509 -0.149604
C 1.667614 -1.438025 2.149475
C -3.606194 0.213013 -0.531094
C -0.715512 0.020482 2.061409
C 1.510402 -0.304766 3.000198
C 0.312101 0.425083 2.964518
C 0.552711 -1.809952 1.334200
C 4.733775 0.707572 0.129415
C 2.403167 0.382212 -0.670167
C -4.848957 0.779623 -0.855628
C -3.278586 -1.143282 -0.677935
C 4.616225 2.091139 -0.138572
C 2.298885 1.773641 -0.904622
C -5.832847 -0.088546 -1.384037
C -4.281635 -1.988697 -1.206331
C 3.402409 2.619333 -0.642736
C -5.547623 -1.462990 -1.560446
H 3.604836 -1.913790 2.696123
H -1.990832 1.588609 2.509954
H 2.331615 0.016129 3.652391
H 0.181291 1.314718 3.589719
H 0.628284 -2.698314 0.698465
H 5.659726 0.266433 0.513078
H 1.566506 -0.283793 -0.897803
H -5.033987 1.847380 -0.701634
H -2.300005 -1.517610 -0.354816
H 5.470135 2.751094 0.047014
H 1.349354 2.171918 -1.274459
H -6.815509 0.311292 -1.654263
H -4.071877 -3.055544 -1.333967
H 3.318395 3.694553 -0.834455
H -6.315978 -2.127542 -1.970014


