%chk=000215501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215501

0 1
S -1.679416 0.772850 0.368277
S -0.477653 2.164918 -1.869872
O -4.090165 -0.310569 0.349126
O -2.704048 -2.102540 -0.087711
N -3.401054 -1.588522 2.081257
C -0.075363 1.004121 -0.507446
C 0.872762 1.704914 0.450315
C 0.414019 -0.315008 -1.075705
C 2.182960 2.155427 -0.216482
C 0.534518 -1.431440 -0.025564
C -2.872661 1.320644 -0.919885
C -2.159009 1.571962 -2.228834
C 3.286171 2.446988 0.812060
C 1.488071 -2.550427 -0.469596
C 3.847155 1.175991 1.465787
C 2.964217 -2.129243 -0.468958
C 4.673279 0.327543 0.488799
C 3.513969 -1.909680 0.947295
C 4.835055 -1.126460 0.955858
C -3.901600 0.190561 -1.000247
C -3.279388 -1.392327 0.707424
H 1.115217 1.012580 1.290499
H 0.384285 2.583315 0.924451
H 1.408576 -0.152820 -1.553913
H -0.249287 -0.670462 -1.891709
H 2.003988 3.062044 -0.827492
H 2.540465 1.375016 -0.921926
H -0.472609 -1.868168 0.159339
H 0.881564 -1.017763 0.941951
H -3.346252 2.255353 -0.529915
H -2.103585 0.665646 -2.865619
H -2.661638 2.353869 -2.833497
H 4.105141 3.004695 0.316900
H 2.898579 3.124518 1.597305
H 1.348383 -3.426824 0.193231
H 1.205711 -2.900531 -1.481758
H 3.007952 0.569620 1.868081
H 4.466584 1.448859 2.340366
H 3.080523 -1.197758 -1.062176
H 3.569246 -2.894534 -0.990128
H 5.669527 0.785377 0.344842
H 4.189574 0.334554 -0.511567
H 3.656912 -2.885105 1.448441
H 2.762439 -1.363181 1.555916
H 5.575236 -1.636311 0.309254
H 5.264369 -1.146040 1.976053
H -3.596398 -0.638184 -1.670613
H -4.913264 0.547033 -1.266956
H -3.766627 -0.840076 2.654093
H -2.722631 -2.189429 2.529349


%chk=000215501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215501

0 1
S -1.484390 0.172730 0.572349
S -0.498564 1.941638 -1.761362
O -4.599529 -0.094256 0.665643
O -6.253003 -1.550877 -0.177419
N -6.170599 -0.917208 2.086197
C 0.101675 0.728484 -0.397941
C 1.012764 1.518831 0.573172
C 0.764205 -0.508699 -1.051594
C 2.249522 2.184503 -0.090175
C 1.163496 -1.641766 -0.068792
C -2.798487 0.892925 -0.610027
C -2.152558 1.081930 -1.989958
C 3.377230 2.524842 0.921910
C 2.217905 -2.616164 -0.660675
C 4.164824 1.284143 1.423456
C 3.648007 -2.017599 -0.752220
C 5.085832 0.654572 0.345848
C 4.340263 -1.836281 0.624679
C 5.508097 -0.812478 0.629872
C -4.000490 -0.047876 -0.687797
C -5.736937 -0.922815 0.779566
H 1.344515 0.823501 1.368446
H 0.398870 2.290469 1.071574
H 1.658105 -0.156051 -1.601888
H 0.076464 -0.920156 -1.814827
H 1.922269 3.109226 -0.604455
H 2.663107 1.526977 -0.877634
H 0.252091 -2.199581 0.218008
H 1.564394 -1.210847 0.868442
H -3.104750 1.867378 -0.194052
H -1.997087 0.115050 -2.499170
H -2.760218 1.741578 -2.634193
H 4.087713 3.231722 0.446628
H 2.936498 3.059880 1.787804
H 2.252226 -3.532518 -0.036452
H 1.886546 -2.938356 -1.669148
H 3.444405 0.527610 1.790813
H 4.777964 1.567556 2.302464
H 3.594221 -1.043287 -1.276006
H 4.279459 -2.667481 -1.390894
H 5.997151 1.278389 0.245742
H 4.585317 0.699710 -0.641030
H 4.721326 -2.819686 0.966741
H 3.590573 -1.528735 1.379471
H 6.260740 -1.120250 -0.125266
H 6.017980 -0.856808 1.614534
H -3.703211 -1.067313 -0.993743
H -4.755917 0.333004 -1.402313
H -5.667888 -0.386721 2.793556
H -6.988326 -1.467841 2.330815


