%chk=000297354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297354

0 1
S 0.437663 -0.804954 -0.504259
O 4.582426 -0.339312 1.421482
O 0.902692 -1.851712 0.392244
O 0.625002 -0.953003 -1.937411
N 1.233508 0.635420 -0.013315
C 2.403414 0.603833 0.911931
C 3.015910 2.019430 0.814618
C 1.420301 1.714394 -1.034074
C 2.633532 2.548580 -0.577833
C 3.457155 -0.471093 0.541239
C -1.223809 -0.463986 -0.196655
C -2.086192 -0.182141 -1.262641
C -1.717204 -0.482162 1.112226
C -3.432410 0.090629 -1.023653
C -3.063082 -0.210034 1.359139
C -3.930460 0.080795 0.291639
C -5.373248 0.357530 0.550284
H 2.019373 0.398908 1.941706
H 4.112484 1.984600 0.959018
H 2.611781 2.670587 1.607824
H 0.494131 2.327188 -1.053032
H 1.576725 1.300498 -2.054494
H 2.394494 3.623901 -0.546052
H 3.475429 2.434325 -1.283509
H 3.895702 -0.301923 -0.459296
H 3.051137 -1.500839 0.602486
H -1.703757 -0.184105 -2.290970
H -1.050647 -0.717573 1.948124
H 4.368261 -0.717336 2.297620
H -4.098254 0.306101 -1.857098
H -3.441165 -0.227506 2.379435
H -5.545077 0.817804 1.533340
H -5.815381 1.028992 -0.198983
H -5.957131 -0.576735 0.527418


%chk=000297354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297354

0 1
S 0.476128 -0.908642 -0.150688
O 4.945538 -0.377212 0.841358
O 0.868585 -1.952187 1.041597
O 0.753326 -1.284905 -1.722297
N 1.281795 0.709761 0.335912
C 2.648392 0.554749 0.950908
C 3.091726 2.035408 0.946288
C 1.366194 1.695880 -0.803106
C 2.593336 2.583650 -0.427106
C 3.639882 -0.347960 0.163663
C -1.347897 -0.465834 -0.006396
C -2.074814 -0.277870 -1.191340
C -1.917766 -0.382675 1.273876
C -3.449966 0.026486 -1.077271
C -3.293515 -0.077951 1.360325
C -4.076461 0.130819 0.192455
C -5.561769 0.423662 0.300944
H 2.529058 0.152848 1.972100
H 4.185612 2.104926 1.068619
H 2.604796 2.570378 1.779606
H 0.422971 2.267324 -0.839026
H 1.510257 1.186361 -1.776617
H 2.317872 3.648766 -0.359781
H 3.382675 2.490883 -1.192803
H 3.848719 0.066279 -0.836387
H 3.226582 -1.368871 0.052733
H -1.581041 -0.386336 -2.162705
H -1.311604 -0.561443 2.167214
H 4.872972 -0.949253 1.646444
H -4.042948 0.179484 -1.986248
H -3.765732 -0.003515 2.346671
H -5.799771 0.983442 1.222076
H -5.924593 1.009598 -0.561087
H -6.145238 -0.516950 0.328567


