%chk=000272158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272158

0 1
O 5.228116 -1.122095 0.663118
O 5.833632 -2.325880 -1.189031
O -1.544040 1.669785 0.125539
O 0.886260 -2.523129 -0.187633
O -4.959027 -3.590521 0.506912
O -2.975799 -4.416637 0.268712
N 0.102926 -0.364851 -0.091295
N -3.748985 -3.479737 0.363341
C 4.931278 -1.305215 -0.733436
C 3.482741 -1.754670 -0.939310
C 2.509728 -0.730372 -0.356285
C 5.791668 -2.353258 1.182875
C 6.208664 -3.155550 -0.059668
C 1.126049 -1.332855 -0.215779
C -1.282803 -0.652518 0.077184
C -2.185096 0.462292 0.193642
C -1.810288 -1.940126 0.134238
C -3.557375 0.276485 0.358656
C -3.199670 -2.111496 0.302700
C -2.347042 2.897595 0.217551
C -4.069772 -1.023612 0.413775
C -1.315006 3.983191 0.107598
C -0.579192 4.366218 1.238882
C -1.083746 4.611383 -1.124947
C 0.374621 5.382517 1.137748
C -0.130228 5.628808 -1.219185
C 0.598035 6.015740 -0.089339
H 5.216827 -0.367891 -1.244018
H 3.317018 -2.749402 -0.467554
H 3.293561 -1.922394 -2.018286
H 2.504029 0.189156 -0.973823
H 2.870779 -0.419002 0.655017
H 5.012565 -2.844491 1.787423
H 6.630223 -2.026306 1.818242
H 7.296182 -3.295406 -0.169625
H 5.680690 -4.116480 -0.167319
H 0.338068 0.634237 -0.116057
H -1.155822 -2.828457 0.049219
H -4.237076 1.120152 0.445775
H -3.075183 2.897592 -0.612864
H -2.872077 2.896355 1.189708
H -5.144963 -1.192359 0.543228
H -0.746379 3.869167 2.194012
H -1.641959 4.307471 -2.009706
H 0.945100 5.681083 2.016633
H 0.046806 6.119682 -2.175578
H 1.340363 6.809600 -0.165393


%chk=000272158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272158

0 1
O 5.244664 -1.418216 0.819380
O 5.725278 -2.297239 -1.338685
O -1.514647 1.619035 0.103046
O 0.763803 -2.740840 0.004869
O -5.387339 -3.444485 0.537988
O -3.348212 -4.455885 0.388153
N -0.034754 -0.538667 0.024148
N -4.097338 -3.405096 0.428423
C 4.832207 -1.376985 -0.604329
C 3.385680 -1.832368 -0.801694
C 2.394849 -0.899176 -0.077397
C 6.065506 -2.643785 0.972583
C 6.776410 -2.732369 -0.388528
C 0.984067 -1.495450 -0.024914
C -1.425937 -0.753973 0.145564
C -2.242536 0.427022 0.189403
C -2.041850 -2.019947 0.224533
C -3.645308 0.337160 0.310758
C -3.449339 -2.077889 0.345356
C -2.260966 2.912888 0.149458
C -4.261463 -0.926892 0.389596
C -1.248792 4.026702 0.052568
C -0.664831 4.568469 1.225289
C -0.858753 4.533202 -1.212794
C 0.297282 5.598658 1.135333
C 0.103201 5.563288 -1.305746
C 0.682841 6.097377 -0.131050
H 5.004430 -0.332355 -0.932932
H 3.267078 -2.860188 -0.417268
H 3.171020 -1.865014 -1.886318
H 2.379087 0.106009 -0.543206
H 2.744423 -0.765694 0.966988
H 5.421590 -3.525774 1.155584
H 6.738788 -2.475989 1.827093
H 7.645686 -2.047617 -0.436769
H 7.073926 -3.752202 -0.679299
H 0.233688 0.450155 -0.014492
H -1.441864 -2.930692 0.192748
H -4.262388 1.238527 0.344022
H -2.973148 2.929617 -0.698021
H -2.823413 2.951692 1.102226
H -5.344488 -1.034219 0.482857
H -0.962253 4.181721 2.207561
H -1.307452 4.119394 -2.124021
H 0.742227 6.012723 2.046512
H 0.397160 5.950429 -2.287282
H 1.426582 6.898739 -0.201700


