%chk=000279817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279817

0 1
S 1.627764 1.765670 0.917227
O -1.881739 -0.601534 -2.000653
O 1.424916 -1.354888 1.077588
O -5.512279 0.231028 1.955751
O -6.548834 1.213386 0.228956
O 5.126144 0.065916 -1.006298
O 6.009277 -0.938635 0.788648
N -0.763996 -0.225114 -0.055466
N 2.745991 -1.116604 -0.776271
N -6.869713 -1.499485 -0.767013
C 0.520573 -0.012694 -0.749345
C -4.382491 -0.937571 -0.828439
C -3.146709 -0.801757 0.063308
C 0.927569 1.461300 -0.733704
C -5.669262 -1.101652 0.004903
C -1.915292 -0.549011 -0.781683
C 1.592663 -0.857723 -0.019042
C 2.707008 3.207530 0.658225
C 4.073020 2.761634 0.154930
C -6.000540 0.234598 0.666678
C 3.890423 -1.778396 -0.130424
C 4.988714 3.958817 -0.095230
C 5.106354 -0.885298 -0.006085
H 0.406045 -0.359839 -1.822093
H -4.458737 -0.062302 -1.509614
H -4.255152 -1.807493 -1.507299
H -3.294345 0.012451 0.807736
H -3.001549 -1.723657 0.668166
H 1.658882 1.688641 -1.529055
H 0.052667 2.118352 -0.911584
H -0.727923 -0.231426 0.965831
H -5.511028 -1.876464 0.809422
H 2.231851 3.934618 -0.024097
H 2.787288 3.711350 1.644045
H 3.972466 2.166506 -0.776823
H 4.545427 2.079477 0.893818
H 2.972589 -0.571730 -1.607539
H -7.112233 -0.802273 -1.469444
H -6.719870 -2.385130 -1.241436
H 4.174404 -2.689408 -0.716865
H 3.597705 -2.143603 0.896807
H 4.581733 4.631920 -0.858625
H 5.138694 4.551228 0.815816
H 5.979352 3.638656 -0.436654
H -5.718137 1.069132 2.449817
H 5.925707 0.657675 -0.954293


%chk=000279817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279817

0 1
S 2.608346 1.411426 0.470844
O -0.670031 0.031433 -2.246544
O 1.669937 -2.282973 1.343166
O -4.888989 -0.595784 1.388138
O -4.992390 1.681104 1.827011
O 6.083958 -2.393564 -0.649734
O 6.697255 -3.673673 1.195906
N 0.151702 -0.824164 -0.253502
N 3.576948 -2.120711 0.042267
N -5.272260 2.120537 -0.928512
C 1.519380 -0.987137 -0.751028
C -3.013826 0.963152 -0.729658
C -2.262573 -0.349070 -0.406259
C 2.225539 0.363058 -1.052469
C -4.562053 0.915113 -0.483247
C -0.871689 -0.360455 -1.049285
C 2.259168 -1.846662 0.303412
C 1.076557 2.537200 0.533211
C 1.075919 3.641132 -0.537554
C -4.844749 0.748511 1.006183
C 4.377425 -2.889583 0.996821
C -0.195921 4.517060 -0.452485
C 5.824218 -3.047988 0.566669
H 1.485103 -1.543951 -1.713813
H -2.588795 1.810729 -0.156069
H -2.859552 1.181882 -1.803485
H -2.196652 -0.522139 0.682973
H -2.832464 -1.201486 -0.828125
H 3.194089 0.194067 -1.555703
H 1.588500 0.941304 -1.740421
H -0.008441 -1.206030 0.688270
H -4.960950 0.024910 -1.004743
H 0.186084 1.891745 0.455834
H 1.106012 2.965247 1.551319
H 1.140059 3.183084 -1.543523
H 1.979979 4.266822 -0.415242
H 4.055786 -1.748747 -0.780567
H -5.258794 2.885399 -0.247063
H -5.062854 2.409057 -1.886592
H 3.950224 -3.899277 1.149980
H 4.364187 -2.410040 1.995160
H -1.107659 3.911501 -0.615059
H -0.283384 5.002944 0.537367
H -0.177708 5.311837 -1.219892
H -5.048554 -0.654832 2.370071
H 7.039313 -2.505792 -0.901429


