%chk=000267352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267352

0 1
O 3.104362 0.386762 1.048173
O 2.272537 -2.887669 0.445852
O 4.549934 2.386838 -0.812563
N 0.786281 0.234838 0.703734
N -0.661216 1.998936 0.455516
N -0.779766 -1.640150 0.220288
N -3.675807 1.448681 -0.335177
N -3.077513 -0.832100 -0.269999
N -2.521787 -3.115862 -0.404986
C 2.014681 -0.536626 1.001861
C 2.319126 -1.582853 -0.122521
C 3.771190 -1.294057 -0.524806
C 4.042003 0.136748 -0.049600
C 3.809862 1.204482 -1.129677
C -0.457390 -0.316306 0.372582
C 0.595517 1.659409 0.745670
C -1.353877 0.797195 0.216211
C -2.716241 0.499193 -0.126214
C -2.111772 -1.813133 -0.126152
C -3.389438 2.882424 -0.108763
C -5.074772 1.089863 -0.655754
H 1.948034 -0.986008 2.023049
H 1.610450 -1.524148 -0.976508
H 4.443239 -2.023606 -0.022640
H 3.937675 -1.434534 -1.605309
H 5.032067 0.271026 0.439462
H 2.737739 1.450532 -1.239662
H 4.227613 0.909022 -2.111298
H 1.413299 2.320065 0.996219
H 1.323792 -3.175704 0.514464
H 4.215280 2.779134 0.023628
H -4.283874 3.498450 -0.278601
H -2.586799 3.228319 -0.790724
H -3.028807 3.060299 0.923275
H -5.715881 1.170778 0.238461
H -5.146758 0.046311 -1.025249
H -5.465880 1.750723 -1.446452
H -1.946563 -3.876218 -0.074606
H -3.514742 -3.297952 -0.451787


%chk=000267352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267352

0 1
O 3.108860 0.666694 0.724546
O 1.689840 -2.652970 0.000935
O 4.718757 2.238995 -0.972913
N 0.738225 0.428064 0.580514
N -0.803139 2.117245 0.587018
N -0.730497 -1.489023 0.037147
N -3.860783 1.399574 -0.066621
N -3.066733 -0.807518 -0.262975
N -2.416418 -3.036380 -0.485568
C 2.006528 -0.295759 0.791315
C 2.292518 -1.377971 -0.293972
C 3.831514 -1.449431 -0.249063
C 4.270108 0.008426 -0.002711
C 4.521938 0.823266 -1.280595
C -0.490636 -0.164638 0.280977
C 0.487011 1.800779 0.767101
C -1.443154 0.892004 0.282084
C -2.805458 0.521083 -0.014746
C -2.059899 -1.730614 -0.228023
C -3.723281 2.846082 0.180542
C -5.222727 0.934226 -0.377617
H 1.986910 -0.778958 1.790543
H 1.949931 -0.972760 -1.272716
H 4.123384 -2.107240 0.587733
H 4.248710 -1.865314 -1.181554
H 5.134461 0.105036 0.676731
H 3.681310 0.680230 -1.993960
H 5.458630 0.491677 -1.761366
H 1.281895 2.493896 1.023039
H 0.676886 -2.465076 0.007962
H 3.962258 2.516859 -0.392989
H -4.060472 3.412282 -0.709747
H -2.676414 3.102804 0.399719
H -4.358694 3.142896 1.038006
H -5.903720 1.157341 0.466617
H -5.196347 -0.149530 -0.554459
H -5.602961 1.451048 -1.279914
H -1.712781 -3.768987 -0.475948
H -3.389762 -3.245234 -0.685677


