%chk=000299299.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299299

0 1
S -4.047000 1.662206 1.689389
O 2.437373 0.634202 -1.869731
O 2.515524 -0.377594 2.998414
O 3.968198 -0.122377 0.441261
O -1.480734 -1.519211 -1.287514
O -3.742617 -1.263063 -1.790244
N -5.221950 0.180599 -0.358087
C -0.256520 0.459187 0.695713
C -1.731914 0.650795 0.805204
C -2.780561 0.087496 -0.057603
C 0.496552 0.144808 1.849692
C 0.422664 0.670482 -0.531603
C 1.814498 0.507686 -0.601722
C 1.903380 -0.010993 1.790625
C 2.574091 0.128252 0.544538
C -2.244257 1.487958 1.779072
C -4.064542 0.543278 0.273998
C -2.722590 -0.922551 -1.102829
C -1.387014 -2.537641 -2.374894
C 3.435250 1.723920 -1.965579
C 3.901948 0.047313 3.271516
C 4.283371 -1.362192 -0.310138
C 0.090762 -2.899403 -2.501627
H 0.003867 -0.019982 2.812596
H -0.119505 0.944185 -1.439428
H -1.704047 2.083810 2.511104
H -5.098967 -0.469409 -1.148126
H -6.135798 0.496103 -0.047730
H -2.013432 -3.403784 -2.093109
H -1.800865 -2.102374 -3.302352
H 4.247152 1.578306 -1.230697
H 2.944851 2.702189 -1.800096
H 3.829006 1.672084 -2.992410
H 4.102637 1.049372 2.853379
H 4.626646 -0.667702 2.849146
H 3.975925 0.067857 4.371108
H 3.874481 -1.304318 -1.334920
H 3.868490 -2.243085 0.215499
H 5.382652 -1.420273 -0.337659
H 0.221724 -3.656181 -3.297128
H 0.693399 -2.010944 -2.756828
H 0.473472 -3.317510 -1.554401


%chk=000299299-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299299

0 1
S -4.012216 1.677659 1.731709
O 2.412109 0.582145 -1.916067
O 2.560672 -0.550298 2.908161
O 3.958887 -0.213704 0.385204
O -1.438667 -1.461270 -1.290638
O -3.695913 -1.281353 -1.819971
N -5.250771 0.243877 -0.295288
C -0.252415 0.426692 0.683245
C -1.722238 0.643179 0.809073
C -2.780542 0.097760 -0.050982
C 0.508712 0.080976 1.826370
C 0.416898 0.637616 -0.548417
C 1.806823 0.452761 -0.640902
C 1.908129 -0.104040 1.742642
C 2.568946 0.048448 0.493007
C -2.211867 1.477078 1.795330
C -4.070019 0.572297 0.306223
C -2.698439 -0.905523 -1.110880
C -1.307543 -2.475260 -2.378828
C 3.439401 1.644073 -2.014817
C 3.766814 0.195874 3.328134
C 4.262268 -1.457743 -0.365189
C 0.171325 -2.847416 -2.443257
H 0.023292 -0.092435 2.791482
H -0.131756 0.929682 -1.446944
H -1.654787 2.056712 2.527799
H -5.161706 -0.406174 -1.095121
H -6.147535 0.586001 0.039254
H -1.953587 -3.337403 -2.131789
H -1.675708 -2.029380 -3.320634
H 4.248905 1.477932 -1.281857
H 2.975909 2.635445 -1.849607
H 3.829175 1.580412 -3.042446
H 3.501717 1.243889 3.568782
H 4.538591 0.171391 2.541311
H 4.117618 -0.317551 4.236497
H 3.860960 -1.392676 -1.392693
H 3.831944 -2.330980 0.159062
H 5.360635 -1.531185 -0.384724
H 0.332054 -3.599485 -3.237668
H 0.790734 -1.961498 -2.665407
H 0.508792 -3.275026 -1.483358


