%chk=000219978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219978

0 1
S 2.940694 0.736109 -0.028440
S 1.342758 -1.524699 0.430250
O -1.889969 1.189269 1.496530
O 0.697834 1.545330 1.587204
O -2.055058 1.279500 -1.333788
O -3.279698 -1.691294 0.446443
C -1.117944 0.288018 0.680633
C 0.230362 0.985328 0.357698
C -1.969079 0.061819 -0.586880
C 1.264400 0.114208 -0.334570
C -3.402917 -0.427848 -0.234024
C -4.214731 -0.723362 -1.483775
C 2.882663 2.488041 -0.549770
C 2.013518 -2.579460 -0.905781
C 4.315587 2.973891 -0.536591
C 2.039538 -3.983541 -0.343309
H -0.997565 -0.653436 1.262090
H 0.021228 1.905433 -0.255546
H -1.466066 -0.640759 -1.288645
H 1.046752 0.049425 -1.425313
H -3.905196 0.305108 0.435758
H -4.090801 0.067712 -2.235524
H -3.900117 -1.674636 -1.936604
H -5.281676 -0.822032 -1.253868
H -1.281685 1.697863 2.100018
H 1.241338 0.903736 2.104452
H -2.449432 1.986935 -0.767034
H -3.132038 -1.548768 1.402762
H 2.428985 2.578386 -1.552047
H 2.250557 3.056465 0.161836
H 1.372767 -2.510308 -1.803704
H 3.026107 -2.231032 -1.187436
H 4.774496 2.892514 0.459267
H 4.953329 2.415405 -1.236121
H 4.371397 4.032810 -0.826341
H 2.678530 -4.066416 0.547849
H 1.038212 -4.341428 -0.061928
H 2.434421 -4.693587 -1.084353


%chk=000219978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219978

0 1
S 2.897856 0.726433 0.379729
S 1.231219 -1.853933 0.647843
O -2.157205 1.062328 1.764800
O 0.453412 0.793017 2.378401
O -1.637565 1.428851 -1.241240
O -3.894865 -0.827043 0.724713
C -1.313381 0.193359 0.907071
C 0.122235 0.748313 0.945997
C -1.941402 0.189687 -0.495916
C 1.158497 -0.047670 0.135983
C -3.490203 -0.035175 -0.443285
C -4.005805 -0.759365 -1.688037
C 2.736400 2.263149 -0.743693
C 2.119662 -2.521778 -0.896727
C 4.130351 2.858037 -0.990166
C 2.505442 -3.988752 -0.665557
H -1.315105 -0.836012 1.311833
H 0.105233 1.778302 0.530953
H -1.460677 -0.605711 -1.091331
H 0.927233 0.016366 -0.940929
H -3.951596 0.977249 -0.378680
H -3.672754 -0.235641 -2.601825
H -3.622024 -1.795174 -1.706266
H -5.108046 -0.801903 -1.680773
H -1.629888 1.228930 2.591903
H 1.422666 1.015047 2.453116
H -2.078671 2.176410 -0.759159
H -3.655756 -0.278776 1.524002
H 2.265401 1.925591 -1.683358
H 2.070216 2.989820 -0.249788
H 1.434667 -2.412290 -1.755533
H 3.007863 -1.884892 -1.049908
H 4.608811 3.170391 -0.044770
H 4.793872 2.128762 -1.486802
H 4.049848 3.749255 -1.639791
H 3.188511 -4.089546 0.195954
H 1.616940 -4.617797 -0.478020
H 3.020108 -4.387138 -1.559344


