%chk=000258752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258752

0 1
O 0.245719 -0.177897 -0.643189
O -6.436944 0.290124 0.497751
O 1.587038 -1.313452 0.823973
N -4.216312 0.683709 0.170002
N 2.412015 0.369099 -0.612184
C -3.832624 -0.742003 0.338584
C -0.930494 -0.958060 -0.191600
C -2.805742 -0.888713 1.481496
C -3.285725 -1.314219 -0.987429
C -1.420895 -0.346739 1.121496
C -1.904357 -0.768292 -1.355868
C -5.549023 1.094492 0.267749
C 1.453954 -0.471935 -0.037800
C -5.779819 2.567647 0.072756
C 3.802253 0.380041 -0.267463
C 4.626739 1.294165 -0.955145
C 4.336943 -0.474150 0.711379
C 5.987655 1.341431 -0.650218
C 5.701188 -0.407124 0.997681
C 6.529674 0.495586 0.322984
H -4.766471 -1.313304 0.616074
H -0.607819 -2.013742 -0.066380
H -2.729800 -1.960659 1.754364
H -3.181746 -0.378057 2.390561
H -4.000990 -1.102066 -1.807304
H -3.245615 -2.418841 -0.906291
H -1.437307 0.757009 1.042821
H -0.696935 -0.574961 1.932194
H -1.516728 -1.274266 -2.261712
H -1.963279 0.304959 -1.625297
H -3.468035 1.336052 -0.028346
H -6.855734 2.790627 0.170504
H -5.258182 3.175609 0.822540
H -5.470600 2.912324 -0.921696
H 2.097566 1.017091 -1.340544
H 4.218514 1.956390 -1.713628
H 3.695798 -1.184360 1.243569
H 6.631487 2.045328 -1.177604
H 6.121214 -1.068184 1.756563
H 7.591316 0.539440 0.553858


%chk=000258752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258752

0 1
O 0.262282 -0.009327 -0.642393
O -6.340377 0.114955 -0.581247
O 1.599976 -1.411602 0.707943
N -4.324136 0.640315 0.442777
N 2.482223 0.389020 -0.562261
C -3.857220 -0.765129 0.490781
C -0.955974 -0.761902 -0.206324
C -2.759770 -0.923091 1.569650
C -3.339974 -1.244526 -0.893547
C -1.424451 -0.244217 1.166039
C -2.014650 -0.553730 -1.296739
C -5.554368 0.984925 -0.091800
C 1.482139 -0.440160 -0.081566
C -5.906682 2.470577 -0.050297
C 3.872472 0.347478 -0.262845
C 4.698706 1.333883 -0.865764
C 4.447315 -0.623223 0.599839
C 6.084379 1.352060 -0.608646
C 5.836860 -0.589808 0.846164
C 6.664274 0.389565 0.250610
H -4.739887 -1.377233 0.754904
H -0.677055 -1.830607 -0.121167
H -2.580722 -2.005817 1.717202
H -3.115030 -0.524318 2.538754
H -4.121086 -1.059437 -1.651033
H -3.191731 -2.342303 -0.843975
H -1.536821 0.857934 1.106722
H -0.651863 -0.451592 1.927248
H -1.646349 -0.954095 -2.258653
H -2.182470 0.531864 -1.436736
H -3.721926 1.370535 0.825275
H -6.080986 2.829643 -1.079425
H -6.852602 2.599315 0.503448
H -5.129760 3.098670 0.419926
H 2.161715 1.117108 -1.204524
H 4.256354 2.084395 -1.533591
H 3.810200 -1.380801 1.060463
H 6.709640 2.118516 -1.079742
H 6.274534 -1.341367 1.512888
H 7.740713 0.403626 0.450841


