%chk=000292347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292347

0 1
S 4.787854 0.132665 0.141179
O 5.272540 0.193166 1.503901
O 5.270916 -0.900591 -0.758026
O -3.386500 1.362802 -0.237449
O -1.458844 -1.992696 -1.285546
O 0.889381 2.786051 2.216596
O -1.015743 1.913947 1.718728
N 5.113230 1.656755 -0.591592
N -1.167958 -0.141184 0.068515
N 0.213604 1.945407 1.647961
C 6.234415 2.453879 -0.025296
C 7.582217 2.238267 -0.730869
C 3.060271 0.082387 0.128835
C 8.187702 0.853289 -0.469332
C 0.226298 -0.071881 0.083985
C 2.313451 0.987928 0.854526
C 0.896052 0.938657 0.848896
C 2.404170 -0.916637 -0.626862
C 1.028518 -0.990864 -0.648850
C -3.434046 -0.970092 -0.451776
C -5.556088 0.256712 -0.099640
C 9.606215 0.746381 -1.023730
C -6.268471 -0.968133 -0.163749
C -4.127571 0.216278 -0.257699
C -1.970037 -1.106323 -0.633709
C -4.191028 -2.185600 -0.530385
C -5.551614 -2.188452 -0.386909
C -6.266792 1.475905 0.118558
C -7.690512 -0.947171 -0.006278
C -7.630790 1.468802 0.266525
C -8.349810 0.238944 0.202614
H 6.330616 2.244021 1.068180
H 5.940865 3.527386 -0.108344
H 7.478128 2.400965 -1.820802
H 8.288644 3.020507 -0.385444
H 5.135356 1.671037 -1.620738
H 7.553058 0.062678 -0.924438
H 8.193501 0.639981 0.619195
H 2.801815 1.773071 1.458009
H 3.005218 -1.639424 -1.200549
H 0.537022 -1.777709 -1.242418
H 9.633635 0.924351 -2.104426
H 10.283384 1.466250 -0.551209
H 10.018705 -0.254705 -0.848262
H -1.683658 0.605638 0.608706
H -3.637998 -3.113840 -0.714830
H -6.114157 -3.120008 -0.443803
H -5.702291 2.409605 0.166389
H -8.235340 -1.890100 -0.055521
H -8.182754 2.393019 0.434519
H -9.434119 0.260849 0.323656
H -3.925262 2.175332 -0.014188


%chk=000292347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292347

0 1
S 4.884230 0.242479 0.255679
O 5.295394 1.024171 1.625695
O 5.412526 -1.262997 -0.100512
O -3.491740 1.138813 0.779946
O -1.499647 -1.990950 -1.208111
O 0.887340 3.113226 2.078753
O -1.121037 2.216181 1.512045
N 5.282792 1.406401 -1.179532
N -1.225537 -0.023267 0.061966
N 0.181669 2.203753 1.499544
C 6.303036 2.444234 -0.844597
C 7.772267 2.065908 -1.136494
C 3.008730 0.176763 0.187927
C 8.339207 0.932932 -0.248828
C 0.173390 0.039654 0.104094
C 2.281431 1.171126 0.830705
C 0.867755 1.107781 0.793219
C 2.391917 -0.893157 -0.487122
C 0.993208 -0.956195 -0.523696
C -3.506456 -0.889442 -0.484924
C -5.674899 0.148101 0.185890
C 9.831249 0.660317 -0.536261
C -6.384535 -0.925580 -0.475138
C -4.232829 0.131776 0.161541
C -2.009514 -1.012926 -0.574487
C -4.249859 -1.936394 -1.132809
C -5.637246 -1.960279 -1.130989
C -6.427945 1.181050 0.835957
C -7.816522 -0.922734 -0.455697
C -7.824936 1.156460 0.837910
C -8.525967 0.094616 0.186621
H 6.174163 2.693016 0.227460
H 6.008690 3.339873 -1.425988
H 7.878375 1.791120 -2.208003
H 8.386979 2.978215 -0.991527
H 5.598556 0.760086 -1.931135
H 7.762435 -0.001236 -0.402723
H 8.202551 1.204245 0.816177
H 2.766162 1.984695 1.377794
H 3.001104 -1.674932 -0.952237
H 0.487224 -1.773774 -1.037419
H 9.987807 0.363851 -1.591110
H 10.446254 1.560404 -0.345385
H 10.216605 -0.154405 0.102855
H -1.737833 0.740668 0.551432
H -3.662613 -2.715474 -1.627013
H -6.177754 -2.771004 -1.630714
H -5.929778 2.017075 1.345705
H -8.349376 -1.738610 -0.957324
H -8.386083 1.952143 1.338354
H -9.620916 0.084653 0.194157
H -4.024625 1.825072 1.245154


