%chk=000287887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287887

0 1
S 3.403894 -2.172061 0.633493
O 0.358263 -2.733720 0.001412
O 0.218256 0.819053 2.965472
O -4.834754 0.774264 -1.025689
N -0.036883 -0.849563 1.338824
N 2.005933 -1.159436 -1.884932
C 1.965663 -2.092250 1.736203
C 1.941756 -0.895519 2.680220
C 0.702324 -1.995596 0.890114
C 0.643012 -0.155952 2.402726
C -1.288945 -0.413607 0.762396
C 3.568908 -0.604307 -0.087421
C -2.219094 0.276325 1.554482
C -1.565318 -0.685171 -0.595549
C -3.429820 0.702238 1.001645
C -2.767105 -0.272222 -1.150774
C -3.695059 0.423877 -0.344699
C 2.919126 -0.296052 -1.306148
C 4.455737 0.316099 0.493419
C 3.179864 0.964371 -1.923671
C 4.697245 1.540890 -0.112698
C 4.049548 1.857388 -1.324841
C -5.878321 1.501140 -0.298780
C -6.950512 1.703577 -1.351008
H 1.976953 -3.064171 2.291968
H 2.800159 -0.203179 2.537194
H 1.996249 -1.194413 3.746440
H -1.999020 0.501588 2.601785
H -0.840894 -1.231386 -1.205518
H -4.137179 1.240743 1.623665
H -3.011864 -0.473211 -2.191843
H 4.966227 0.059937 1.425067
H 2.685884 1.219389 -2.856931
H 5.381373 2.255496 0.335347
H 4.243841 2.823595 -1.794650
H 1.661938 -0.980002 -2.812076
H 1.886170 -2.108676 -1.545368
H -6.217245 0.874114 0.543454
H -5.451034 2.450669 0.066399
H -7.813148 2.243203 -0.944756
H -6.564350 2.271876 -2.209051
H -7.304675 0.741862 -1.748722


%chk=000287887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287887

0 1
S 3.481043 -2.306481 0.768593
O 0.281886 -2.638669 -0.027037
O 0.062488 0.964737 2.996047
O -5.006616 0.865815 -1.062618
N -0.119903 -0.720821 1.322609
N 2.317414 -1.289845 -1.944774
C 1.880761 -1.957130 1.766131
C 1.889260 -0.686186 2.626656
C 0.624711 -1.854813 0.889443
C 0.532175 -0.023806 2.392286
C -1.380552 -0.318618 0.746505
C 3.801120 -0.696910 -0.069041
C -2.440884 0.103541 1.577965
C -1.547755 -0.335655 -0.661948
C -3.668060 0.510558 1.013611
C -2.769935 0.060577 -1.226601
C -3.836248 0.487250 -0.393987
C 3.211332 -0.415750 -1.347185
C 4.723088 0.206735 0.510463
C 3.575801 0.807003 -1.993338
C 5.071464 1.409752 -0.140678
C 4.484993 1.698716 -1.397752
C -6.151362 1.323697 -0.247338
C -7.272046 1.678659 -1.220139
H 1.797403 -2.879340 2.368971
H 2.668469 0.026148 2.296466
H 2.044412 -0.876348 3.700874
H -2.307634 0.132085 2.661988
H -0.725929 -0.662760 -1.303822
H -4.473016 0.838820 1.676497
H -2.922201 0.052671 -2.309806
H 5.180032 -0.056149 1.471112
H 3.135169 1.042895 -2.969728
H 5.785277 2.100894 0.317289
H 4.742881 2.627292 -1.919913
H 1.957129 -1.100213 -2.875723
H 2.051649 -2.160494 -1.480315
H -6.458176 0.511399 0.443260
H -5.844962 2.204151 0.354024
H -8.160257 2.028811 -0.663489
H -6.951694 2.479663 -1.907814
H -7.559629 0.799319 -1.821141


