%chk=000231306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231306

0 1
S 0.000480 -0.000042 -0.374064
O 0.000608 1.259001 0.342497
O 0.000771 -1.258884 0.342848
N 6.336540 0.000002 1.339446
N -6.334451 0.000317 1.342902
C 1.374853 -0.000172 -1.505117
C -1.374474 -0.000219 -1.504434
C 2.654848 -0.000066 -0.730784
C -2.654013 -0.000136 -0.729373
C 3.261598 -1.213005 -0.363973
C -3.260521 1.212888 -0.362445
C 3.262902 1.212935 -0.366389
C -3.261913 -1.213040 -0.364406
C 4.459439 -1.221680 0.345565
C -4.457969 1.221751 0.347729
C 4.460759 1.221732 0.343140
C -4.459378 -1.221673 0.345762
C 5.070924 0.000053 0.700044
C -5.069332 0.000100 0.702763
H 1.346200 -0.875224 -2.184937
H 1.346145 0.874652 -2.185220
H -1.346180 0.874682 -2.184424
H -1.346106 -0.875236 -2.184260
H 2.783948 -2.160048 -0.619347
H -2.782958 2.159864 -0.618233
H 2.786325 2.159984 -0.623692
H -2.785496 -2.160153 -0.621770
H 4.919481 -2.167021 0.620532
H -4.917809 2.167150 0.622800
H 4.921822 2.167121 0.616219
H -4.920308 -2.166984 0.619299
H 6.570320 0.836241 1.856084
H 6.569415 -0.835465 1.857739
H -6.568367 -0.835852 1.859429
H -6.567402 0.835924 1.860770


%chk=000231306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231306

0 1
S 0.000461 -0.000114 -0.498825
O 0.000782 1.421265 0.321802
O 0.000557 -1.421361 0.322033
N 6.294938 -0.000014 1.669857
N -6.292822 0.000419 1.673184
C 1.696669 -0.000326 -1.736842
C -1.696382 -0.000109 -1.735980
C 2.896184 -0.000250 -0.891936
C -2.895460 0.000023 -0.890454
C 3.475176 -1.222148 -0.439690
C -3.474172 1.222032 -0.438149
C 3.475221 1.221733 -0.439974
C -3.474299 -1.221849 -0.437940
C 4.597843 -1.228797 0.399810
C -4.596385 1.228888 0.401957
C 4.597890 1.228534 0.399522
C -4.596513 -1.228443 0.402166
C 5.180677 -0.000092 0.835574
C -5.179019 0.000290 0.838289
H 1.505421 -0.919563 -2.309952
H 1.505469 0.918777 -2.310184
H -1.505402 0.919004 -2.309378
H -1.505496 -0.919335 -2.309229
H 3.023598 -2.173046 -0.744213
H -3.022731 2.172855 -0.743111
H 3.023676 2.172576 -0.744716
H -3.022955 -2.172770 -0.742738
H 5.026306 -2.180481 0.736903
H -5.024636 2.180654 0.739086
H 5.026390 2.180280 0.736394
H -5.024864 -2.180107 0.739460
H 6.689985 0.871770 2.010627
H 6.689954 -0.871733 2.010831
H -6.687723 -0.871284 2.014333
H -6.687633 0.872220 2.014186


