%chk=000186424.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186424

0 1
S -1.650012 -0.658635 0.733604
O -0.191010 -4.816778 0.088377
O -0.790013 -0.303961 1.849091
O -2.618930 -1.726742 0.903250
N -0.669126 -1.115018 -0.614782
C 0.093820 -3.385733 0.162608
C -0.600047 -2.562979 -0.913748
C -0.710953 -4.066804 1.234005
C 0.569196 -0.336462 -0.861866
C 1.682863 -0.525874 0.185644
C -2.430572 0.772224 0.156721
C 2.864414 0.340080 -0.144729
C -3.482326 0.674542 -0.758968
C -2.016290 2.024533 0.623180
C 3.793889 -0.070706 -1.113451
C 3.043583 1.568682 0.509286
C -4.115553 1.833758 -1.219097
C -2.648156 3.183198 0.164336
C -3.696782 3.086236 -0.758075
C 4.888661 0.740450 -1.422342
C 4.140887 2.375526 0.196736
C 5.064567 1.964853 -0.769525
H 1.151885 -3.149526 0.333330
H -1.644849 -2.938541 -1.065420
H -0.080380 -2.718863 -1.887787
H -0.259435 -4.329918 2.186589
H -1.799208 -3.957268 1.255846
H 0.957519 -0.603929 -1.872468
H 0.287989 0.741169 -0.921560
H 1.985786 -1.593814 0.241204
H 1.293199 -0.294019 1.207436
H -3.818421 -0.305320 -1.112889
H -1.203113 2.096959 1.355180
H 3.665587 -1.023697 -1.621953
H 2.331024 1.890294 1.266977
H -4.935257 1.759504 -1.932484
H -2.327841 4.159024 0.526815
H 5.608192 0.416635 -2.172710
H 4.277528 3.326137 0.709791
H -4.190699 3.990707 -1.116274
H 5.918481 2.593878 -1.010577


%chk=000186424-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186424

0 1
S -1.670375 -0.697150 0.788008
O -0.441718 -5.067937 0.344434
O -0.727572 -0.287217 2.064360
O -2.894658 -1.759274 0.969664
N -0.690267 -1.332119 -0.679659
C 0.042608 -3.640878 0.231203
C -0.727258 -2.811866 -0.798551
C -0.622464 -4.098196 1.493975
C 0.553282 -0.560977 -0.915880
C 1.799872 -0.840493 -0.013802
C -2.354166 0.912829 0.073063
C 2.851091 0.238133 -0.223187
C -3.393664 0.831613 -0.867684
C -1.824722 2.117419 0.560773
C 3.800642 0.140326 -1.273135
C 2.870140 1.392440 0.603091
C -3.919121 2.046706 -1.363599
C -2.364382 3.322061 0.051079
C -3.402690 3.284314 -0.908548
C 4.746652 1.167151 -1.492822
C 3.815098 2.420579 0.387578
C 4.756127 2.312157 -0.663003
H 1.136545 -3.563441 0.224710
H -1.785870 -3.124201 -0.759648
H -0.352705 -3.032597 -1.817982
H -0.005053 -4.313024 2.373987
H -1.657543 -3.789807 1.679970
H 0.815099 -0.729932 -1.979774
H 0.293327 0.511657 -0.832136
H 2.221315 -1.830654 -0.265041
H 1.469050 -0.859849 1.039562
H -3.784890 -0.138313 -1.189435
H -1.039440 2.105217 1.323861
H 3.807993 -0.751109 -1.913712
H 2.150448 1.471939 1.427787
H -4.730578 2.025523 -2.098255
H -1.976638 4.282142 0.406670
H 5.477720 1.072689 -2.303876
H 3.823749 3.300344 1.041243
H -3.817008 4.220694 -1.297484
H 5.492120 3.106902 -0.828505


