%chk=000257761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257761

0 1
S 6.575335 0.789002 0.248314
O 6.872799 1.296190 1.572649
O 7.287662 -0.348744 -0.296974
N 6.888861 2.092765 -0.829071
N 0.719210 0.016261 -0.387456
N -3.434687 0.291904 -0.151770
N 0.023723 -0.737224 0.316810
N -2.095365 0.299881 -0.035989
N -3.049394 -3.996468 -1.085081
C 4.877461 0.525857 0.103616
C 4.390259 -0.370508 -0.854911
C 3.992791 1.202251 0.951070
C 2.137572 0.105190 -0.133776
C 3.018799 -0.589147 -0.982264
C 2.617339 0.996507 0.842260
C -1.893487 -2.209492 0.077473
C -1.402353 -0.814568 0.070890
C -4.130555 1.546311 -0.096082
C -5.537826 1.489644 -0.040424
C -3.458789 2.781285 -0.131399
C -1.691267 -3.043503 1.187746
C -2.566530 -2.730441 -1.048176
C -6.262053 2.682981 -0.024475
C -4.206467 3.958877 -0.111410
C -5.604233 3.916458 -0.058245
C -2.180052 -4.351016 1.151693
C -2.856226 -4.790392 0.001191
H 5.087546 -0.915431 -1.503199
H 4.378642 1.887657 1.715792
H 2.634334 -1.284237 -1.728024
H 1.924212 1.518907 1.500884
H 7.172754 2.986043 -0.433419
H 7.443495 1.906259 -1.661369
H -3.987054 -0.571156 -0.090181
H -6.062754 0.538472 -0.013616
H -2.369016 2.815453 -0.177563
H -1.152481 -2.669745 2.061545
H -2.720036 -2.125779 -1.951824
H -7.350976 2.648620 0.015838
H -3.693159 4.920583 -0.139150
H -6.177298 4.840778 -0.044148
H -2.036569 -5.021128 1.997232
H -3.259568 -5.808058 -0.071209


%chk=000257761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257761

0 1
S 6.672019 0.696906 -0.261767
O 7.284852 -0.691539 0.331048
O 7.173320 1.384027 -1.651103
N 6.901364 1.964079 1.056061
N 0.625890 0.136835 -0.688221
N -3.405392 0.275915 -0.222859
N 0.044573 -0.791584 0.035388
N -2.059956 0.243562 -0.330892
N -3.586052 -3.955563 0.260166
C 4.803145 0.504100 -0.357722
C 4.100894 1.322591 -1.256751
C 4.197572 -0.471664 0.456344
C 2.047755 0.194798 -0.516206
C 2.703192 1.158488 -1.330083
C 2.802735 -0.624611 0.374161
C -1.923033 -2.151686 0.475508
C -1.365502 -0.853948 0.001506
C -4.115351 1.483348 -0.439509
C -5.525588 1.472571 -0.277321
C -3.441274 2.672553 -0.820468
C -1.328399 -2.835183 1.572154
C -3.037875 -2.776054 -0.154640
C -6.260186 2.656021 -0.496391
C -4.191579 3.845234 -1.035329
C -5.599326 3.847957 -0.875959
C -1.878304 -4.057400 2.005197
C -3.013261 -4.573334 1.334381
H 4.632554 2.040576 -1.888497
H 4.810352 -1.100589 1.110104
H 2.093866 1.761565 -2.009875
H 2.277838 -1.370437 0.977510
H 7.443668 1.531596 1.822404
H 7.371455 2.782267 0.634237
H -3.943713 -0.551608 0.077985
H -6.041518 0.549643 0.016959
H -2.355167 2.651883 -0.939364
H -0.450324 -2.400312 2.057905
H -3.483461 -2.352847 -1.064631
H -7.348131 2.646148 -0.370333
H -3.674586 4.765240 -1.329426
H -6.172325 4.765414 -1.045361
H -1.442771 -4.604949 2.846691
H -3.479372 -5.512910 1.650797


