%chk=000276468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276468

0 1
S 1.386644 -0.597883 -1.849095
O 1.060841 0.596769 -2.589023
O 1.385918 -1.880295 -2.527905
O 0.802432 2.873835 -0.796893
O -1.345980 2.179519 -1.011562
O -6.745226 0.007693 0.296164
O -6.790038 -1.878339 1.350816
N 0.179858 -0.794955 -0.604574
N -6.222033 -1.023893 0.686115
C -0.697770 -1.994192 -0.686724
C 0.243125 -0.124611 0.657523
C 2.847595 -0.381726 -0.982171
C -2.134744 -1.702090 -0.318549
C 0.084996 1.275662 0.736697
C 0.469685 -0.857640 1.842307
C 3.673565 -1.486143 -0.728542
C 3.242673 0.892111 -0.553302
C -2.773416 -0.527384 -0.738579
C -2.846587 -2.659700 0.427865
C 0.203599 1.924541 1.975858
C 5.267331 -0.046743 0.399737
C 4.873548 -1.324568 -0.040957
C 4.442752 1.060577 0.135698
C 0.562455 -0.201054 3.067130
C 0.441894 1.192714 3.137663
C -4.109251 -0.296328 -0.411619
C -4.182461 -2.443283 0.755250
C -0.283876 2.098898 -0.446083
C -4.808393 -1.258208 0.334185
C 6.558392 0.132216 1.123052
C 0.697443 3.591463 -2.061465
H -0.289114 -2.818341 -0.054920
H -0.676249 -2.384511 -1.742535
H 0.573555 -1.940376 1.798222
H 3.379424 -2.481939 -1.081536
H 2.605193 1.767958 -0.759067
H -2.220188 0.230867 -1.312433
H -2.357841 -3.576675 0.754735
H 0.097776 3.011049 2.023340
H 5.510669 -2.186297 0.150319
H 4.740128 2.054497 0.466980
H 0.735254 -0.776615 3.977905
H 0.525425 1.700857 4.096827
H -4.611754 0.624727 -0.729529
H -4.748425 -3.179526 1.335299
H 6.533678 0.973186 1.830784
H 7.376113 0.337438 0.412769
H 6.850751 -0.759124 1.695964
H 1.540347 4.284682 -2.020909
H 0.801205 2.849326 -2.869397
H -0.264216 4.108954 -2.126435


%chk=000276468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276468

0 1
S 1.535722 0.050985 -1.758344
O 1.663277 1.643445 -2.041329
O 1.254327 -1.044995 -2.927841
O -0.052120 3.985485 -0.992337
O -1.465051 2.224604 -1.548663
O -6.869353 -1.264420 0.049080
O -6.464334 -3.201596 1.181963
N 0.025869 -0.136568 -0.527308
N -6.069857 -2.163059 0.519911
C -0.365799 -1.554827 -0.420421
C 0.137994 0.699539 0.619991
C 3.086060 -0.484047 -0.825309
C -1.862613 -1.678388 -0.144931
C -0.068634 2.110899 0.476563
C 0.472233 0.177039 1.900798
C 3.515836 -1.814181 -0.963674
C 3.749191 0.468180 -0.032805
C -2.773553 -0.710342 -0.641972
C -2.348216 -2.798054 0.577418
C 0.127119 2.955701 1.596900
C 5.383430 -1.284738 0.560925
C 4.675403 -2.204661 -0.258575
C 4.904447 0.049286 0.662384
C 0.608360 1.026266 3.016071
C 0.456242 2.423948 2.861700
C -4.156280 -0.867354 -0.427836
C -3.728307 -2.968901 0.797302
C -0.593423 2.715672 -0.793821
C -4.615417 -1.995382 0.288137
C 6.648777 -1.707945 1.283273
C -0.464591 4.653929 -2.249151
H 0.208500 -2.132863 0.336908
H -0.147936 -2.006489 -1.410340
H 0.626154 -0.899686 2.023348
H 2.979502 -2.505922 -1.621593
H 3.387634 1.500000 0.020237
H -2.386918 0.165502 -1.175674
H -1.644837 -3.542335 0.969412
H -0.007785 4.033039 1.466342
H 5.039445 -3.233981 -0.353992
H 5.442915 0.770812 1.287222
H 0.850300 0.602187 3.996666
H 0.580515 3.091930 3.720215
H -4.878678 -0.136465 -0.800417
H -4.126258 -3.823947 1.349735
H 6.789570 -1.143873 2.221371
H 7.539234 -1.522174 0.652055
H 6.638822 -2.784339 1.526480
H 0.042613 5.628559 -2.227752
H -0.132061 4.049820 -3.109344
H -1.560769 4.771805 -2.283581


