%chk=000206379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206379

0 1
O 2.968241 -2.041116 -0.105076
O 0.049724 1.548682 0.209586
N -0.804408 -0.552571 0.559263
N 1.561523 -0.220694 0.054136
N -4.087996 1.022768 -0.374612
C -0.579054 -1.923161 0.606842
C -1.617684 -2.974836 0.891893
C 0.666600 -2.450184 0.401810
C -0.824396 -4.306315 0.823951
C 0.656013 -3.947802 0.522675
C -2.165017 0.039057 0.725368
C 1.839087 -1.662781 0.105441
C -2.836834 0.250740 -0.650172
C 0.277984 0.355174 0.262018
C 2.663277 0.699396 -0.223472
C -5.298590 0.322957 -0.920997
C -3.996403 2.437152 -0.870810
C -6.557457 0.839391 -0.222613
C -2.945636 3.223760 -0.090068
C 3.517788 0.437022 -1.306194
C 2.858953 1.821828 0.597228
C 4.578296 1.310111 -1.559661
C 3.921371 2.685767 0.322706
C 4.781310 2.433089 -0.751143
H -2.081175 -2.831138 1.886133
H -2.439752 -2.951552 0.153501
H -1.233856 -4.964083 0.039975
H -0.907004 -4.858239 1.774548
H 1.013679 -4.426783 -0.407186
H 1.332239 -4.286926 1.329202
H -2.784399 -0.607713 1.378934
H -2.063713 1.021609 1.252373
H -2.139383 0.793052 -1.328275
H -3.034416 -0.725737 -1.135643
H -5.399843 0.435305 -2.022414
H -5.194837 -0.766184 -0.718253
H -3.780010 2.491375 -1.960308
H -4.993554 2.910238 -0.718365
H -7.427720 0.225446 -0.475310
H -6.435693 0.822272 0.869290
H -6.785343 1.875436 -0.499195
H -2.926128 4.271702 -0.406803
H -3.151251 3.203755 0.987253
H -1.928128 2.823689 -0.227849
H 3.373737 -0.449861 -1.923773
H 2.180218 2.029823 1.424066
H 5.250617 1.110056 -2.393127
H 4.077943 3.561267 0.951606
H 5.608479 3.109356 -0.956679


%chk=000206379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206379

0 1
O 3.040490 -2.109844 0.077253
O 0.124768 1.626162 0.134090
N -0.756778 -0.498628 0.544380
N 1.594233 -0.225298 0.090915
N -4.097737 1.052439 -0.465967
C -0.555514 -1.869218 0.631688
C -1.623885 -2.895854 0.961059
C 0.684691 -2.448615 0.480251
C -0.904781 -4.247764 0.642605
C 0.630214 -3.947470 0.687102
C -2.100140 0.122902 0.693636
C 1.867153 -1.658193 0.210384
C -2.783686 0.400975 -0.671610
C 0.320098 0.382275 0.247388
C 2.717338 0.654414 -0.215018
C -5.260019 0.252008 -0.932331
C -4.130724 2.476608 -0.891928
C -6.573106 0.602287 -0.205162
C -3.196843 3.378414 -0.061954
C 3.463696 0.436882 -1.393696
C 3.061456 1.698564 0.671115
C 4.561991 1.273459 -1.687233
C 4.157248 2.535451 0.368664
C 4.910820 2.325297 -0.809267
H -1.904168 -2.822473 2.031644
H -2.551777 -2.763087 0.375237
H -1.185724 -4.577385 -0.373773
H -1.199416 -5.045343 1.345244
H 1.193813 -4.498840 -0.085430
H 1.077811 -4.225187 1.661523
H -2.732029 -0.540303 1.306155
H -1.977751 1.078045 1.226742
H -2.108109 1.040742 -1.273598
H -2.900529 -0.553562 -1.225043
H -5.410590 0.346240 -2.038552
H -5.028903 -0.812447 -0.735884
H -3.873617 2.576265 -1.977856
H -5.168258 2.838486 -0.776149
H -7.384078 -0.074682 -0.532654
H -6.441600 0.498479 0.886226
H -6.900790 1.636358 -0.412944
H -3.271046 4.424070 -0.414232
H -3.484587 3.348794 1.004434
H -2.138493 3.072109 -0.144596
H 3.198473 -0.387469 -2.061516
H 2.469553 1.862153 1.576273
H 5.144357 1.101645 -2.598904
H 4.421003 3.349272 1.052810
H 5.762870 2.974468 -1.039722


