%chk=000192697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192697

0 1
S 5.160138 -0.208577 0.857978
O 5.655154 -1.033053 -0.531346
O 6.236830 0.726901 1.096350
O 4.878623 -1.225614 1.834173
N -4.350295 -0.046526 0.049667
N -0.893750 0.739576 -1.275804
N -5.939654 -3.500463 -0.282940
N -6.522131 2.968145 0.924170
C -2.929293 0.409295 0.164301
C -2.289697 0.249598 -1.235467
C -4.479032 -1.512816 0.327362
C -5.264558 0.759930 0.918699
C 0.150458 0.023663 -0.666890
C 1.423430 0.693288 -0.451435
C 2.517330 -0.060846 0.084003
C -5.732352 -2.039179 -0.413699
C -5.553684 2.104450 0.208270
C 3.772140 0.604079 0.271951
C 0.012116 -1.322026 -0.338821
C 1.617398 2.065309 -0.763358
C 2.322352 -1.431186 0.412703
C 1.105021 -2.035735 0.195950
C 3.916616 1.942415 -0.045989
C 2.832186 2.685569 -0.561622
H -2.341770 -0.147256 0.925421
H -2.889635 1.476418 0.472092
H -2.878580 0.819985 -1.991378
H -2.326212 -0.813590 -1.565379
H -4.537513 -1.749633 1.410139
H -3.578355 -2.038655 -0.056706
H -4.861541 0.933815 1.937822
H -6.219040 0.203529 1.051706
H -0.811288 1.756091 -1.290778
H -6.646434 -1.523519 -0.043180
H -5.663491 -1.783469 -1.495913
H -5.940517 1.909217 -0.818407
H -4.612459 2.680957 0.070418
H -0.924861 -1.845449 -0.503821
H 0.786157 2.645039 -1.175827
H 3.135162 -2.016249 0.857914
H 0.968005 -3.090928 0.444515
H 4.880844 2.452382 0.100057
H 2.970998 3.738406 -0.801130
H -5.169014 -4.020136 -0.690251
H -6.010789 -3.778296 0.690339
H -7.434691 2.527452 0.982495
H -6.217167 3.157475 1.873266
H 6.598046 -1.239486 -0.588819


%chk=000192697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192697

0 1
S 5.467274 -0.282524 0.695861
O 5.623819 -1.430381 -0.763099
O 6.709081 0.756202 0.683499
O 5.235346 -1.199911 2.011239
N -4.431946 -0.023829 0.173519
N -0.889860 0.936688 -0.883211
N -5.777418 -3.561623 -0.563435
N -6.911111 2.824688 0.952717
C -3.064661 0.513872 0.343665
C -2.270456 0.448835 -0.990795
C -4.529497 -1.500242 0.277996
C -5.476299 0.713657 0.924660
C 0.186474 0.186646 -0.417759
C 1.525437 0.769270 -0.392555
C 2.639656 -0.040683 0.092820
C -5.611146 -2.102449 -0.665256
C -5.902800 2.036458 0.224488
C 3.917536 0.607910 0.087131
C 0.019097 -1.144850 0.023750
C 1.781151 2.104575 -0.835951
C 2.419010 -1.383477 0.527687
C 1.124442 -1.907138 0.481075
C 4.163265 1.906323 -0.342698
C 3.059523 2.670469 -0.814362
H -2.495483 -0.016310 1.143321
H -3.129825 1.572181 0.656548
H -2.806134 1.060339 -1.738267
H -2.269795 -0.587502 -1.379653
H -4.737153 -1.832002 1.326895
H -3.551177 -1.942070 0.002224
H -5.154451 0.945290 1.971874
H -6.370700 0.067280 1.009133
H -0.727249 1.903047 -1.154348
H -6.588468 -1.625729 -0.459153
H -5.352971 -1.839514 -1.707348
H -6.293796 1.790339 -0.779478
H -5.012628 2.675228 0.064128
H -0.973839 -1.602331 0.025590
H 0.965415 2.730685 -1.214731
H 3.248928 -1.984456 0.903596
H 0.949342 -2.935823 0.815042
H 5.177046 2.317667 -0.312280
H 3.220000 3.695076 -1.161884
H -4.983618 -4.113290 -0.899597
H -6.132869 -3.897022 0.335928
H -7.841476 2.400006 0.995656
H -6.605913 3.184317 1.861425
H 6.382099 -2.053591 -0.562803


