%chk=000298273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298273

0 1
O 3.961375 0.017599 -0.271056
O 0.791048 1.472986 0.576753
O 0.219000 -1.386452 -0.349038
O 2.639505 -2.344695 -0.896504
O 4.858699 -1.842310 0.636451
O 3.006263 3.180519 -1.514213
O 0.159376 2.712562 -1.240568
O -0.322148 -2.687673 1.456115
N -0.717348 3.089058 0.920768
N -1.397017 -2.906711 -0.640898
C 1.533169 0.544447 -0.289138
C 1.304148 -0.796422 0.425250
C 2.986635 1.075272 -0.303483
C 2.506188 -1.774925 0.390797
C 3.766411 -0.967392 0.783556
C 3.363143 1.807926 -1.612286
C 0.060759 2.477063 -0.052220
C -0.499970 -2.398278 0.292923
C 6.141124 -1.268569 0.994646
C -1.573237 4.220266 0.689781
C -2.345460 -3.949233 -0.374315
C -2.251185 4.745052 1.808136
C -1.739663 4.782706 -0.585185
C -3.167423 -4.355599 -1.444981
C -2.466087 -4.543304 0.892409
C -3.097438 5.840615 1.632262
C -2.591450 5.879415 -0.734458
C -4.110329 -5.361456 -1.230005
C -3.417167 -5.547644 1.081275
C -3.270426 6.410721 0.366259
C -4.239953 -5.959410 0.028119
H 1.067550 0.533572 -1.305939
H 0.947110 -0.635845 1.474362
H 3.147786 1.743539 0.577020
H 2.323351 -2.656792 1.052983
H 3.734405 -0.467185 1.767455
H 2.911052 1.343552 -2.503955
H 4.468501 1.825229 -1.726172
H 3.198304 -1.756141 -1.472441
H 2.032171 3.296998 -1.682365
H 6.337580 -0.378035 0.388723
H 6.170853 -1.048511 2.064356
H 6.831916 -2.081274 0.735615
H -0.662716 2.722716 1.877679
H -1.348256 -2.538584 -1.597330
H -2.124946 4.311362 2.797036
H -1.214516 4.372785 -1.453274
H -3.075271 -3.899821 -2.427512
H -1.824115 -4.229417 1.721402
H -3.626690 6.253726 2.491390
H -2.724804 6.322065 -1.722468
H -4.749804 -5.682207 -2.052554
H -3.514901 -6.013494 2.062445
H -3.931709 7.265345 0.239243
H -4.977491 -6.742919 0.185849


%chk=000298273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298273

0 1
O 4.374157 0.061959 -0.295766
O 0.908999 1.340415 0.473308
O 0.423838 -1.316164 -0.456353
O 2.985977 -1.909910 -1.711022
O 5.224379 -2.097626 0.108982
O 3.074521 3.530506 -0.512517
O 0.500269 2.831714 -1.307071
O -0.048396 -2.575152 1.486469
N -0.923350 2.645915 0.577132
N -1.450649 -2.565194 -0.431227
C 1.919397 0.569259 -0.303990
C 1.695462 -0.882619 0.151009
C 3.353862 1.089848 0.032904
C 2.848813 -1.825845 -0.261790
C 4.124565 -1.245810 0.379802
C 3.815539 2.313396 -0.795548
C 0.168544 2.329638 -0.194676
C -0.351121 -2.210321 0.322509
C 6.485249 -1.663055 0.739751
C -1.897429 3.663437 0.350939
C -2.523245 -3.425911 -0.062673
C -2.918443 3.806154 1.327246
C -1.878624 4.511145 -0.786533
C -3.548510 -3.633300 -1.023483
C -2.598396 -4.065924 1.202328
C -3.912815 4.792411 1.170050
C -2.881061 5.495121 -0.926542
C -4.640037 -4.472784 -0.723433
C -3.698998 -4.903294 1.485792
C -3.899876 5.645101 0.041660
C -4.723388 -5.113984 0.534685
H 1.705281 0.674561 -1.383150
H 1.582364 -0.918062 1.252744
H 3.388037 1.326543 1.117954
H 2.649553 -2.846823 0.105673
H 3.996106 -1.055301 1.473478
H 3.783729 2.042367 -1.872430
H 4.862773 2.521882 -0.521247
H 3.717770 -1.291482 -1.978140
H 2.195029 3.493385 -0.985712
H 6.816297 -0.696288 0.323119
H 6.363538 -1.577018 1.838869
H 7.214896 -2.452006 0.506373
H -1.023219 2.085037 1.426987
H -1.471819 -2.162520 -1.371328
H -2.932883 3.149087 2.206241
H -1.097302 4.394361 -1.539854
H -3.489891 -3.139951 -2.002055
H -1.807111 -3.906784 1.937664
H -4.695543 4.894133 1.929507
H -2.862359 6.149291 -1.805207
H -5.423909 -4.625811 -1.473261
H -3.751821 -5.396433 2.462909
H -4.671659 6.412186 -0.079836
H -5.571187 -5.766681 0.767457


