%chk=000211307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211307

0 1
S -1.204907 -2.535561 -1.480135
O -0.154441 -0.052016 1.355990
N -2.021624 -0.637404 0.121979
N 2.087074 -0.115931 -0.990246
N -3.811471 -1.469486 -1.094449
C 0.072609 -1.612657 -0.526832
C 0.964989 -0.899362 -1.559919
C -0.629995 -0.665816 0.439087
C -2.514689 -1.554427 -0.884851
C -3.165763 0.077452 0.574232
C -4.267371 -0.448905 -0.196437
C 2.988029 -0.907078 -0.164823
C 1.889532 1.263991 -0.657988
C -3.338522 1.082827 1.523795
C -5.557208 0.052056 0.001230
C -4.637014 1.561410 1.698335
C 2.861626 -0.951932 1.234156
C 2.924201 1.967680 -0.001452
C 3.994451 -1.636031 -0.818453
C 0.737829 1.958022 -1.081787
C -5.722467 1.057144 0.953165
C 3.753732 -1.726948 1.975962
C 2.794226 3.336258 0.223285
C 4.876163 -2.410915 -0.060260
C 0.629982 3.330140 -0.847174
C 4.758489 -2.458670 1.332325
C 1.649850 4.025958 -0.194417
H 0.675581 -2.346392 0.069326
H 0.350577 -0.232169 -2.214676
H 1.416371 -1.669608 -2.234913
H -2.495624 1.467390 2.096522
H -6.394095 -0.339566 -0.575841
H -4.820646 2.347704 2.431840
H 2.073831 -0.376471 1.731965
H 3.826206 1.451288 0.321814
H 4.093358 -1.583435 -1.901763
H -0.068738 1.442329 -1.597767
H -6.717068 1.467134 1.129708
H 3.664870 -1.762060 3.061701
H 3.595014 3.874646 0.730454
H 5.662421 -2.976548 -0.559408
H -0.263895 3.859581 -1.177217
H 5.450384 -3.062578 1.916613
H 1.557246 5.092655 -0.011974


%chk=000211307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211307

0 1
S -1.316558 -2.590263 -1.686230
O -0.283160 -0.349413 1.500005
N -2.126472 -0.716918 0.071079
N 1.962611 -0.148303 -0.703389
N -3.869074 -1.335129 -1.306533
C -0.025797 -1.731024 -0.541201
C 0.971448 -0.918859 -1.450092
C -0.788539 -0.865475 0.474898
C -2.591330 -1.506105 -1.019602
C -3.243016 0.024782 0.528913
C -4.315301 -0.366161 -0.345665
C 2.993108 -0.900481 -0.025091
C 1.844646 1.262293 -0.538354
C -3.400576 0.959516 1.563992
C -5.593903 0.198889 -0.181541
C -4.694263 1.514423 1.714063
C 3.091988 -0.860688 1.390480
C 2.965858 2.018975 -0.087410
C 3.886063 -1.713743 -0.768050
C 0.646540 1.963468 -0.860903
C -5.767492 1.142074 0.858827
C 4.084434 -1.617826 2.048398
C 2.882785 3.418977 0.041395
C 4.866036 -2.483253 -0.101374
C 0.580592 3.367350 -0.737376
C 4.972625 -2.434765 1.307920
C 1.692258 4.110936 -0.283471
H 0.521631 -2.520329 -0.000923
H 0.404255 -0.260958 -2.126809
H 1.480779 -1.667430 -2.085019
H -2.570021 1.238810 2.217014
H -6.416734 -0.089929 -0.841376
H -4.871521 2.246848 2.508662
H 2.375471 -0.254714 1.953750
H 3.903504 1.508128 0.150747
H 3.828082 -1.723290 -1.862684
H -0.250524 1.431042 -1.192540
H -6.752330 1.596563 1.010798
H 4.153298 -1.583248 3.141377
H 3.762254 3.973744 0.388233
H 5.554718 -3.106052 -0.683167
H -0.355869 3.878171 -0.989263
H 5.737041 -3.026598 1.823035
H 1.633558 5.199664 -0.184822


