%chk=000218553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218553

0 1
S 1.151845 1.458091 0.113600
S -0.657687 1.473382 -0.839502
N 5.515934 -1.308052 0.319298
N -5.459707 -0.108181 -0.318069
N 6.517238 0.364006 -1.195372
N 7.704739 -0.522170 0.689157
N -6.820623 -1.033389 1.494517
N -7.810721 -0.239372 -0.542257
C 3.360965 -0.043037 0.176265
C -3.142911 0.590740 -0.425900
C 1.955531 -0.088328 -0.406429
C -1.789094 0.585123 0.271189
C 4.169183 -1.281876 -0.265582
C -4.196206 -0.135036 0.436736
C 6.480353 -0.517440 -0.066508
C -6.593980 -0.491240 0.195109
H 3.885599 0.884513 -0.125995
H 3.328590 -0.013150 1.287643
H -3.490018 1.627330 -0.626504
H -3.087551 0.103987 -1.422857
H 1.970603 -0.160179 -1.510354
H 1.390177 -0.962251 -0.033632
H -1.834580 1.091757 1.254113
H -1.427462 -0.443168 0.452029
H 3.672604 -2.209023 0.112169
H 4.185124 -1.365680 -1.374413
H -3.871198 -1.180277 0.636584
H -4.294165 0.370404 1.424909
H 7.180760 1.129358 -1.144287
H 5.613699 0.692475 -1.516466
H 7.697056 -1.207263 1.446787
H 8.538503 -0.647363 0.121878
H -7.771273 -1.273288 1.739591
H -6.142987 -1.696653 1.836799
H -7.666878 0.405280 -1.321407
H -8.256764 -1.084531 -0.884438


%chk=000218553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218553

0 1
S 1.167441 1.659263 0.390235
S -0.727479 1.761240 -0.859502
N 5.503836 -1.403053 0.316375
N -5.557207 -0.262282 -0.458395
N 6.679968 0.194696 -1.108726
N 7.714048 -0.767610 0.765498
N -6.764843 -1.133006 1.467345
N -7.894378 -0.499343 -0.490598
C 3.420359 -0.001039 0.260254
C -3.269164 0.631716 -0.510559
C 2.043114 0.167644 -0.405550
C -1.902965 0.698129 0.194447
C 4.215682 -1.185705 -0.364183
C -4.287390 -0.214244 0.289712
C 6.553658 -0.686201 -0.020215
C -6.656657 -0.625304 0.161029
H 4.008156 0.931799 0.157714
H 3.304517 -0.195448 1.342766
H -3.687302 1.646425 -0.646406
H -3.167622 0.186690 -1.517613
H 2.130154 0.377602 -1.484826
H 1.410060 -0.723520 -0.257716
H -1.974520 1.171831 1.187729
H -1.451375 -0.303153 0.299406
H 3.621229 -2.111134 -0.246700
H 4.298537 -1.014040 -1.467322
H -3.863235 -1.236879 0.427176
H -4.400968 0.227411 1.311389
H 7.371626 0.940010 -1.088453
H 5.921783 0.268659 -1.780371
H 7.630546 -1.376000 1.578652
H 8.628127 -0.693549 0.320839
H -7.634199 -1.032821 1.986775
H -5.920506 -1.352849 1.987350
H -7.843466 -0.077700 -1.416936
H -8.614866 -1.202734 -0.332222


