%chk=000273459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273459

0 1
O -1.144970 2.890954 1.768907
O -0.440527 0.197697 -1.757346
O -3.517499 0.028300 0.007667
O -5.232357 1.086864 1.041239
N 0.572961 0.473193 0.250529
N -1.980354 2.159582 -0.234795
N -1.572158 -2.355378 -1.907761
C 0.454660 1.945724 0.181851
C 1.521193 2.627774 1.056138
C 2.912683 2.170745 0.721645
C -0.954153 2.357062 0.690184
C 0.182926 -0.323209 -0.827641
C 3.631309 1.381355 1.632047
C 3.501081 2.529486 -0.501305
C 0.517988 -1.761878 -0.761131
C -3.372454 2.399090 0.170137
C 4.925623 0.955346 1.319810
C 4.793641 2.098312 -0.808690
C -0.344614 -2.723003 -1.353513
C 5.508383 1.310037 0.099697
C 1.719168 -2.199322 -0.168619
C 0.007153 -4.101832 -1.308453
C -4.164771 1.139269 0.479248
C 2.054019 -3.544876 -0.130238
C 1.185563 -4.495989 -0.699970
C -4.142412 -1.279381 0.227758
C -5.294923 -1.470597 -0.734956
H 0.569077 2.273788 -0.891648
H 1.284675 2.469434 2.133519
H 1.437417 3.731082 0.932605
H 1.027407 0.087248 1.073757
H 3.190179 1.109491 2.588862
H 2.951921 3.144340 -1.211892
H -1.843453 1.521208 -1.036915
H -3.399241 3.059885 1.082679
H -3.901981 2.958805 -0.640265
H 5.482105 0.347770 2.032023
H 5.246353 2.378017 -1.759219
H 6.515652 0.977211 -0.141997
H 2.409466 -1.463934 0.252814
H -0.655767 -4.840848 -1.750861
H 2.983805 -3.869203 0.329303
H 1.453311 -5.553680 -0.664566
H -1.715738 -1.370697 -2.144875
H -2.016448 -2.996924 -2.546034
H -4.455140 -1.341174 1.284935
H -3.283747 -1.949164 0.027577
H -6.127809 -0.790839 -0.495510
H -4.996785 -1.266245 -1.770199
H -5.685719 -2.493994 -0.692232


%chk=000273459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273459

0 1
O -1.182847 3.019147 1.832570
O -0.648805 0.329589 -1.801781
O -3.480180 0.100480 0.654640
O -5.505346 1.218900 0.333602
N 0.493848 0.510494 0.196413
N -2.000136 2.214824 -0.206204
N -1.319299 -2.093091 -2.651153
C 0.406099 1.985724 0.219560
C 1.513280 2.583564 1.118523
C 2.915765 2.136928 0.729644
C -0.999239 2.458980 0.708411
C 0.038686 -0.246899 -0.860737
C 3.707201 1.373929 1.625534
C 3.464273 2.473502 -0.535680
C 0.341641 -1.700736 -0.872570
C -3.398408 2.466151 0.114880
C 5.010103 0.952821 1.268830
C 4.763366 2.055978 -0.896835
C -0.380388 -2.581188 -1.762671
C 5.541921 1.291267 0.004331
C 1.343676 -2.258059 -0.025680
C -0.112182 -3.985962 -1.701257
C -4.252859 1.217542 0.364988
C 1.608711 -3.636275 0.008472
C 0.857544 -4.502050 -0.831240
C -4.218611 -1.175866 0.921589
C -4.487515 -1.921647 -0.387989
H 0.528685 2.321834 -0.827776
H 1.291801 2.325972 2.170382
H 1.419519 3.683488 1.057842
H 0.920417 0.053148 1.002568
H 3.307444 1.123664 2.616988
H 2.872772 3.070360 -1.241699
H -1.740326 1.641841 -1.031250
H -3.422843 3.079372 1.036666
H -3.901336 3.042682 -0.682125
H 5.608245 0.368663 1.977486
H 5.170494 2.327056 -1.877484
H 6.550760 0.967970 -0.275185
H 1.964150 -1.595593 0.590596
H -0.671983 -4.658237 -2.362980
H 2.391329 -4.034845 0.660743
H 1.047336 -5.581314 -0.813933
H -1.392383 -1.069848 -2.735754
H -1.797445 -2.723816 -3.289640
H -5.156031 -0.933076 1.452391
H -3.535851 -1.732371 1.582919
H -5.192701 -1.357600 -1.022023
H -3.548537 -2.082771 -0.946030
H -4.937115 -2.907722 -0.166592


