%chk=000275432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275432

0 1
S 8.472316 1.125271 -1.565614
F 9.077448 -0.282667 -1.936942
O 3.713871 -1.444231 1.413546
O 7.596824 1.419156 -2.659019
O 9.620062 1.915705 -1.243072
N 3.232769 0.332793 0.016993
N -9.141795 1.030267 -0.617098
N -9.086829 -1.091526 0.617961
N -7.208686 2.285772 -0.987274
N -7.099036 -1.956810 1.483216
N -11.112161 -0.225657 -0.245553
C -3.213380 0.078544 -0.062486
C -4.699270 -0.135511 -0.367453
C -2.323378 -0.546982 -1.148851
C -5.596077 0.479489 0.720171
C -0.868400 -0.332140 -0.837638
C -7.045265 0.265364 0.416546
C -0.193550 0.793477 -1.336562
C -0.169859 -1.248321 -0.037203
C -7.793668 1.185006 -0.365300
C -7.739647 -0.896853 0.846731
C 1.844062 0.071512 -0.243832
C 1.153836 1.002042 -1.047683
C 1.178767 -1.056278 0.263255
C -9.735463 -0.101377 -0.093337
C 4.080553 -0.453235 0.813453
C 5.492379 0.057561 0.884324
C 6.238098 0.324999 -0.267518
C 7.561057 0.764880 -0.148951
C 6.078365 0.202509 2.153288
C 8.140846 0.927139 1.114653
C 7.398959 0.644061 2.265564
H -2.957261 -0.357524 0.922716
H -2.990890 1.159878 0.021973
H -4.959488 0.300701 -1.351915
H -4.922996 -1.216231 -0.463910
H -2.577765 -0.118357 -2.139652
H -2.543443 -1.630519 -1.240815
H -5.377131 1.562093 0.826305
H -5.339680 0.051652 1.711425
H -0.725561 1.513736 -1.957593
H -0.682847 -2.125337 0.358216
H 1.658833 1.878354 -1.447250
H 1.709016 -1.782221 0.889053
H 3.607628 1.180714 -0.415146
H -7.818867 2.982744 -1.393217
H -6.321658 2.620867 -0.648682
H -6.204831 -1.796495 1.917133
H -7.671217 -2.678755 1.900439
H 5.789142 0.189669 -1.260399
H 5.495526 -0.038768 3.048622
H 9.176292 1.280685 1.205742
H 7.853242 0.762183 3.250544
H -11.531570 -1.126101 -0.065018
H -11.570021 0.358673 -0.929787


%chk=000275432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275432

0 1
S 8.189303 2.248347 -1.331020
F 8.859617 0.910876 -2.429677
O 3.854813 -1.558777 1.658210
O 6.995644 2.939262 -2.158174
O 9.463092 3.069124 -0.800109
N 3.299283 0.042629 0.032355
N -9.207468 1.007767 -0.859335
N -9.205480 -0.747344 0.843477
N -7.280096 2.165684 -1.437769
N -7.275862 -1.358653 1.980599
N -11.160407 -0.146930 -0.291294
C -3.221152 -0.009073 -0.124947
C -4.729602 -0.226026 -0.370751
C -2.327560 -0.893418 -1.040551
C -5.627164 0.663551 0.538787
C -0.844264 -0.689374 -0.777935
C -7.114817 0.454024 0.323265
C -0.123077 0.351657 -1.419409
C -0.143929 -1.498705 0.151857
C -7.864734 1.193278 -0.640620
C -7.862755 -0.532774 1.033995
C 1.920108 -0.244485 -0.199925
C 1.237655 0.574924 -1.138812
C 1.219199 -1.293983 0.450332
C -9.807633 0.046048 -0.093930
C 4.179864 -0.598781 0.892117
C 5.601379 -0.072229 0.894986
C 6.151274 0.744292 -0.125409
C 7.487773 1.145336 0.013546
C 6.426447 -0.464826 1.982299
C 8.327522 0.791379 1.080635
C 7.766399 -0.036630 2.080404
H -2.977102 -0.226107 0.935283
H -2.961976 1.057479 -0.288002
H -4.972786 -0.019108 -1.432449
H -4.988382 -1.290907 -0.202853
H -2.565378 -0.660456 -2.097147
H -2.598595 -1.955066 -0.879458
H -5.356914 1.728400 0.376525
H -5.358409 0.475516 1.599716
H -0.630941 0.989958 -2.152465
H -0.675540 -2.315432 0.655587
H 1.774184 1.382773 -1.654466
H 1.742159 -1.926498 1.169067
H 3.654371 0.850059 -0.484024
H -7.886047 2.666260 -2.083209
H -6.295172 2.398166 -1.375525
H -6.290688 -1.302647 2.213801
H -7.880156 -2.020621 2.461233
H 5.593209 1.053561 -1.016252
H 5.982682 -1.118239 2.739996
H 9.361731 1.144944 1.131666
H 8.380477 -0.346074 2.931413
H -11.642240 -0.855226 0.253685
H -11.643656 0.418693 -0.982224


