%chk=000281368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281368

0 1
S -6.124787 -2.732162 0.756254
O 7.091797 -1.320792 -0.072435
O 2.363283 2.784340 1.320725
O -6.281315 -3.253749 -0.585647
O -5.955772 -3.615222 1.891975
O -0.676429 3.013333 -1.655487
N 1.976659 0.923905 0.004371
N -0.746162 1.299172 0.509927
N -1.931894 1.477908 0.835352
N -7.552374 -1.828509 1.075411
C 0.122960 2.499992 0.559201
C 3.295699 0.347450 0.000555
C -4.870960 -1.545333 0.766212
C 1.603107 2.070460 0.688822
C -2.855490 0.367859 0.785426
C 4.391161 0.961249 0.645172
C 3.465449 -0.864754 -0.690579
C -0.035043 3.384411 -0.708230
C -4.531981 -0.880127 -0.417307
C -4.192531 -1.260886 1.956514
C 5.802059 -0.851597 -0.105762
C -3.520000 0.080501 -0.419227
C -3.178281 -0.302679 1.977685
C 5.642066 0.365275 0.593449
C 4.722543 -1.471150 -0.748151
C 0.660350 4.699048 -0.613854
C 7.388036 -2.580943 -0.758133
C 8.870392 -2.767539 -0.502904
H -0.095569 3.151662 1.457609
H 1.251643 0.374454 -0.474223
H 4.256555 1.905097 1.188236
H 2.623363 -1.344863 -1.188579
H -5.050844 -1.120974 -1.353548
H -4.446845 -1.800052 2.877769
H -3.249020 0.602727 -1.338358
H -2.647923 -0.077536 2.902203
H 6.505130 0.815998 1.082005
H 4.839750 -2.406403 -1.285877
H 0.018844 5.455989 -0.135345
H 1.595313 4.661820 -0.025626
H 0.914282 5.091244 -1.612018
H 7.149347 -2.459514 -1.828443
H 6.771895 -3.376870 -0.306236
H -8.030202 -1.979769 1.960966
H -8.244442 -1.743712 0.334231
H 9.243661 -3.688261 -0.964959
H 9.452823 -1.924459 -0.901181
H 9.086797 -2.813341 0.574039


%chk=000281368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281368

0 1
S -5.580500 -3.065100 0.884841
O 6.826935 -1.515042 -0.324853
O 2.503224 3.323881 1.140896
O -4.886351 -4.215136 -0.035776
O -6.135864 -3.323332 2.393786
O -0.679013 3.389365 -1.601807
N 1.904938 1.219821 0.243804
N -0.676060 1.630440 0.539698
N -1.759216 1.662762 1.250150
N -6.987955 -2.395425 -0.088461
C 0.136173 2.857053 0.667012
C 3.155343 0.550577 0.113433
C -4.387908 -1.605790 0.964950
C 1.650420 2.484967 0.719966
C -2.612082 0.511296 1.101665
C 4.393371 1.136944 0.498514
C 3.145850 -0.758484 -0.427821
C -0.095846 3.798244 -0.571846
C -3.439636 -1.471632 -0.065509
C -4.492486 -0.732448 2.058760
C 5.574841 -0.895543 -0.208549
C -2.538383 -0.393818 0.006630
C -3.591012 0.350298 2.114890
C 5.586269 0.413615 0.335299
C 4.342948 -1.484755 -0.591535
C 0.429568 5.206831 -0.391656
C 6.871424 -2.878986 -0.890144
C 8.337941 -3.300408 -0.911526
H -0.107127 3.432397 1.581630
H 1.050345 0.704340 -0.019607
H 4.405154 2.145241 0.916659
H 2.195839 -1.218571 -0.727417
H -3.405696 -2.198380 -0.883283
H -5.237959 -0.906713 2.840506
H -1.792443 -0.225615 -0.775586
H -3.623482 1.075008 2.933931
H 6.547158 0.849489 0.625052
H 4.300586 -2.493113 -1.012236
H -0.247245 5.764311 0.285310
H 1.424787 5.192367 0.088311
H 0.465743 5.723620 -1.363018
H 6.440195 -2.867690 -1.912567
H 6.265336 -3.559796 -0.257165
H -7.831146 -2.407405 0.508919
H -7.084970 -2.959823 -0.948752
H 8.434124 -4.319984 -1.327005
H 8.931968 -2.610543 -1.534707
H 8.758999 -3.296638 0.108217


