%chk=000201933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201933

0 1
S -4.669418 -0.116700 -1.517607
O 2.240513 3.788299 0.084600
N 2.984402 0.271801 0.200277
N -0.666101 1.987697 -1.273080
N 3.785123 2.350110 0.988395
C 1.939885 1.311809 -0.128422
C 0.632062 1.156748 0.670312
C 1.678927 1.294120 -1.645472
C -0.427405 2.164554 0.198630
C 0.588099 2.302820 -2.035070
C 2.618795 2.653987 0.281340
C 4.070424 0.895814 1.035314
C -1.805911 2.849703 -1.734238
C 2.606633 -1.074707 0.494839
C -3.141077 2.166092 -1.378778
C 3.218065 -1.806573 1.533229
C 1.676709 -1.721575 -0.351000
C -3.386358 0.942233 -2.250050
C 2.904331 -3.156336 1.710746
C 1.373451 -3.065804 -0.154217
C 1.982540 -3.791723 0.876788
C -3.851748 -1.110583 -0.315889
C -2.476700 -1.069501 -0.085348
C -4.682867 -1.978603 0.403510
C -1.921944 -1.919819 0.878074
C -4.117768 -2.819424 1.365407
C -2.738023 -2.792729 1.603104
H 0.814810 1.280330 1.753862
H 0.230712 0.128715 0.545120
H 1.363832 0.266936 -1.944663
H 2.611062 1.500183 -2.204341
H -1.383872 1.970443 0.732929
H -0.106450 3.200222 0.459179
H 0.953042 3.341687 -1.855037
H 0.373624 2.210542 -3.120846
H 5.051426 0.652618 0.559585
H 4.075537 0.539148 2.094828
H 4.466710 3.029780 1.292874
H -1.780271 3.871361 -1.296917
H -1.738996 2.983712 -2.835559
H -3.967866 2.895078 -1.491453
H -3.137876 1.886846 -0.302954
H 3.932162 -1.338426 2.205521
H 1.209566 -1.170485 -1.173542
H -3.752498 1.220819 -3.256867
H -2.447401 0.367831 -2.401187
H 3.385165 -3.715249 2.513810
H 0.655724 -3.557445 -0.812622
H 1.741357 -4.841291 1.022192
H -1.827938 -0.385383 -0.641815
H -5.757030 -2.005129 0.220980
H -0.846870 -1.903181 1.059475
H -4.753662 -3.498446 1.930972
H -2.302537 -3.451225 2.351281


%chk=000201933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201933

0 1
S -4.732888 -0.305876 -1.875609
O 2.343929 3.872531 0.184207
N 2.865669 0.328384 0.573896
N -0.649954 2.008971 -1.257051
N 3.896181 2.323184 1.030062
C 1.938362 1.387195 0.071052
C 0.573557 1.392764 0.833813
C 1.733556 1.313222 -1.477034
C -0.471460 2.323935 0.189339
C 0.627100 2.260075 -1.983483
C 2.713780 2.688491 0.416048
C 4.087648 0.883798 1.186271
C -1.792229 2.767523 -1.841886
C 2.676798 -1.064064 0.552641
C -3.147878 2.078021 -1.561188
C 3.677352 -1.920179 1.114561
C 1.518398 -1.688919 -0.009340
C -3.310599 0.810205 -2.419423
C 3.521521 -3.321193 1.114424
C 1.377566 -3.090703 0.001803
C 2.371443 -3.926089 0.561250
C -4.039503 -1.173608 -0.410018
C -2.696037 -1.060658 0.025314
C -4.936724 -2.024328 0.287266
C -2.258571 -1.808487 1.144659
C -4.489528 -2.762556 1.403419
C -3.146423 -2.660565 1.838462
H 0.746236 1.700043 1.882659
H 0.172328 0.366713 0.860083
H 1.472806 0.279081 -1.756477
H 2.689065 1.555528 -1.979556
H -1.436513 2.181106 0.708647
H -0.165838 3.388251 0.324646
H 0.956145 3.319319 -1.871542
H 0.460730 2.065674 -3.059615
H 5.005357 0.535747 0.662268
H 4.176718 0.599038 2.258549
H 4.573714 3.014858 1.349437
H -1.816770 3.818353 -1.463292
H -1.638560 2.830627 -2.937179
H -3.976699 2.779699 -1.773877
H -3.220633 1.822247 -0.488270
H 4.586462 -1.500571 1.555939
H 0.722808 -1.095970 -0.465054
H -3.566694 1.064467 -3.463148
H -2.382214 0.214700 -2.430236
H 4.311040 -3.942124 1.553797
H 0.472648 -3.529444 -0.434411
H 2.252345 -5.014030 0.564489
H -1.986299 -0.402809 -0.489993
H -5.977847 -2.109871 -0.044870
H -1.214640 -1.726428 1.469769
H -5.192158 -3.417527 1.931052
H -2.798500 -3.236051 2.702931


