%chk=000277559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277559

0 1
S -2.450082 -2.459594 -1.623767
S 0.199728 3.325374 1.207230
O -3.652654 -2.199211 -2.709515
O -3.145198 -2.393218 0.134191
O -0.652144 3.403507 2.604834
O -0.678923 4.325786 -0.161424
N -2.307602 1.686682 -0.104074
N -2.777504 0.660430 0.112902
C -2.268388 -4.341686 -1.598344
C 1.602526 4.551873 1.448736
C -1.216354 -6.369908 -0.763244
C 3.566153 5.731475 0.626409
C -2.024927 -7.139083 -1.690381
C 3.729800 6.327030 1.939007
C -1.359829 -4.942927 -0.735275
C 2.473751 4.831972 0.401884
C -3.079528 -5.068733 -2.511039
C 1.730535 5.131075 2.743001
C -2.952076 -6.457150 -2.548434
C 2.789197 6.007777 2.975879
C -0.297553 -7.054786 0.099874
C 4.496701 6.061867 -0.414342
C -1.875316 -8.564978 -1.718673
C 4.825720 7.224606 2.158783
C -0.176317 -8.444722 0.048316
C 5.553811 6.939606 -0.168164
C -0.970242 -9.205181 -0.869500
C 5.720052 7.524252 1.128727
H -0.771284 -4.351860 -0.024740
H 2.325781 4.395005 -0.592515
H -1.245664 3.784483 -0.545022
H -3.417262 -1.467014 0.253915
H -3.785057 -4.517290 -3.143163
H 0.990066 4.877514 3.510339
H -3.565776 -7.046639 -3.239227
H 2.909941 6.468892 3.962843
H 0.307090 -6.470706 0.803472
H 4.364435 5.617394 -1.407717
H -2.484736 -9.147999 -2.419158
H 4.950004 7.675884 3.150190
H 0.526755 -8.960753 0.710889
H 6.261103 7.186886 -0.966969
H -0.864171 -10.294970 -0.899605
H 6.554437 8.211135 1.306770


%chk=000277559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277559

0 1
S 1.756797 -2.812196 -0.177817
S 3.260129 0.887812 0.107887
O 2.036619 -1.842248 -1.513300
O 1.009723 -1.781457 1.119284
O 2.865622 -0.017200 1.459886
O 1.909031 0.703398 -1.091980
N -1.068845 -0.093601 -0.795718
N -1.455873 0.644809 -0.011949
C 0.146453 -3.678645 -0.608251
C 2.755072 2.627541 0.607151
C -1.550292 -5.342427 -0.087667
C 2.700395 5.016318 0.148344
C -2.241294 -4.982710 -1.311865
C 1.991088 5.213492 1.398623
C -0.332235 -4.664782 0.247006
C 3.078440 3.687000 -0.233161
C -0.512190 -3.296823 -1.808001
C 2.066422 2.789517 1.839586
C -1.693031 -3.954923 -2.150901
C 1.689603 4.076841 2.222163
C -2.100974 -6.364638 0.754403
C 3.002939 6.152331 -0.673404
C -3.455540 -5.668211 -1.645949
C 1.613591 6.544247 1.775804
C -3.286556 -7.012051 0.401579
C 2.621997 7.435851 -0.277207
C -3.967954 -6.661726 -0.808482
C 1.921945 7.632715 0.956576
H 0.193255 -4.923649 1.173563
H 3.602024 3.525507 -1.182676
H 1.909248 -0.311065 -1.377443
H 1.734985 -1.059327 1.370822
H -0.069655 -2.511957 -2.429381
H 1.858129 1.905131 2.451279
H -2.222548 -3.682982 -3.071210
H 1.152198 4.232039 3.164661
H -1.578295 -6.629897 1.680820
H 3.536935 5.998329 -1.618368
H -3.978942 -5.399117 -2.570977
H 1.076422 6.695877 2.719425
H -3.702394 -7.791181 1.049333
H 2.855633 8.299180 -0.909386
H -4.897043 -7.178236 -1.072888
H 1.627966 8.645211 1.253688


