%chk=000263409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263409

0 1
O -4.898826 3.244920 0.001775
O -2.760049 2.963361 0.001784
O -7.242743 -2.450416 -0.000405
O -7.969103 -0.411672 0.000470
N -0.686207 -0.324045 0.000482
N -1.712925 0.605277 0.000848
N -3.917225 2.527442 0.001558
N -7.074425 -1.241453 0.000088
C 2.675188 1.307750 0.000195
C 2.899476 -0.178798 -0.000014
C 1.136867 1.484890 0.001061
C 1.669410 -0.886425 0.000179
C 0.552370 0.081273 0.000593
C 4.107834 -0.871581 -0.000338
C 1.636969 -2.276325 0.000033
C 4.071524 -2.281285 -0.000484
C 5.403435 -0.157127 -0.000529
C 2.857850 -2.969630 -0.000305
C 6.016137 0.182410 -1.215919
C 6.017408 0.180757 1.214678
C -3.012768 0.149805 0.000688
C 7.239030 0.858752 -1.211940
C 7.240296 0.857111 1.210339
C -4.102418 1.087187 0.001017
C 7.851661 1.197188 -0.000889
C -3.323604 -1.253014 0.000176
C -5.433639 0.611997 0.000819
C -5.691689 -0.749797 0.000306
C -4.619018 -1.692162 -0.000015
H 3.142101 1.783832 0.883701
H 3.141053 1.783825 -0.883883
H 0.803783 2.057012 -0.885736
H 0.804699 2.055871 0.888963
H 0.687377 -2.811220 0.000176
H 5.011790 -2.835164 -0.000744
H 2.854626 -4.059453 -0.000423
H 5.540140 -0.084289 -2.158082
H 5.542392 -0.087210 2.156977
H -1.522515 1.637356 0.001272
H 7.716343 1.121428 -2.155084
H 7.718588 1.118512 2.153341
H 8.804560 1.723599 -0.001031
H -2.492369 -1.967749 -0.000067
H -6.266761 1.339269 0.001085
H -4.863025 -2.763303 -0.000417


%chk=000263409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263409

0 1
O -4.790782 3.332196 0.247208
O -2.555380 2.892877 0.188770
O -7.449660 -2.351302 -0.009230
O -8.088715 -0.160099 0.119589
N -0.715577 -0.530226 -0.028241
N -1.711054 0.440196 0.041754
N -3.813844 2.496156 0.186379
N -7.187323 -1.084640 0.053804
C 2.561379 1.272540 0.251891
C 2.885721 -0.201563 0.026692
C 1.012175 1.374059 0.096550
C 1.688033 -0.961867 -0.091185
C 0.526793 -0.073307 0.000563
C 4.151642 -0.832580 -0.105531
C 1.707527 -2.360411 -0.308207
C 4.156484 -2.238309 -0.336604
C 5.448432 -0.091171 -0.044966
C 2.960889 -2.992023 -0.427751
C 6.466626 -0.363937 -1.000294
C 5.715730 0.873753 0.963915
C -3.036375 0.077519 0.043181
C 7.706711 0.308413 -0.952223
C 6.957281 1.543680 1.016423
C -4.091767 1.065259 0.113131
C 7.958085 1.266845 0.056908
C -3.419689 -1.303633 -0.023279
C -5.450365 0.679669 0.116047
C -5.771286 -0.680325 0.049980
C -4.758330 -1.680764 -0.020306
H 2.860291 1.595961 1.265291
H 3.102371 1.926651 -0.454875
H 0.737172 1.928910 -0.822706
H 0.545727 1.914052 0.942803
H 0.770109 -2.918311 -0.390426
H 5.120377 -2.752755 -0.421364
H 3.017926 -4.072949 -0.594330
H 6.273054 -1.089614 -1.798778
H 4.965174 1.075348 1.735481
H -1.532883 1.465136 0.093696
H 8.473147 0.089340 -1.703929
H 7.145690 2.274926 1.810299
H 8.920303 1.789001 0.095525
H -2.618407 -2.042711 -0.074946
H -6.233637 1.439958 0.170052
H -5.056180 -2.731244 -0.070461


