%chk=000274823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274823

0 1
O 2.656482 -0.245080 1.545311
O 5.428896 -0.941033 0.264378
O 5.016265 1.254688 0.005048
N -1.112298 -1.259734 -0.310307
N -0.644933 -2.536478 -0.547278
N 0.630818 -2.498934 -0.752265
C -0.029765 -0.357456 -0.379313
C 1.085384 -1.167637 -0.660127
C -0.102152 1.086408 -0.169722
C -2.502498 -0.991705 -0.026012
C 2.505635 -0.800144 -0.827658
C -0.006420 1.954237 -1.269924
C -0.233837 1.600065 1.129323
C -3.098444 0.192620 -0.487830
C -3.239344 -1.940421 0.704481
C 3.138733 -0.320115 0.453921
C -0.048802 3.334976 -1.065005
C -0.274977 2.983654 1.323119
C -4.444211 0.428930 -0.196830
C -4.584506 -1.686113 0.978368
C -0.183901 3.850097 0.229271
C -5.186962 -0.504220 0.533713
C 4.603719 0.146207 0.220472
H 3.085773 -1.684843 -1.206768
H 2.609795 -0.020300 -1.620904
H 0.101055 1.550983 -2.275884
H -0.289239 0.921303 1.981748
H -2.527927 0.920150 -1.065723
H -2.768370 -2.865908 1.044265
H 0.027804 4.012456 -1.914747
H -0.372307 3.385915 2.331369
H -4.915991 1.347480 -0.546699
H -5.165760 -2.415873 1.543071
H -0.212839 4.928010 0.385001
H -6.236254 -0.312142 0.754527
H 6.393076 -0.707141 0.155509


%chk=000274823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274823

0 1
O 2.564877 -0.175601 1.579178
O 5.137843 -0.153055 -0.906469
O 5.382695 0.335879 1.359912
N -1.125333 -1.246190 -0.190993
N -0.702719 -2.596451 -0.369271
N 0.615531 -2.546631 -0.619223
C -0.049879 -0.375511 -0.345019
C 1.043196 -1.218792 -0.619473
C -0.078842 1.091742 -0.169785
C -2.517665 -0.993668 0.058085
C 2.492655 -0.880355 -0.784470
C 0.364233 1.938036 -1.220714
C -0.505091 1.673455 1.053921
C -3.156192 0.150810 -0.476721
C -3.247102 -1.939593 0.817937
C 3.150738 -0.350766 0.490819
C 0.375993 3.340582 -1.053855
C -0.496239 3.074321 1.216251
C -4.529775 0.356240 -0.225822
C -4.621589 -1.726993 1.051597
C -0.056860 3.912982 0.164409
C -5.267127 -0.577839 0.537629
C 4.666287 -0.012859 0.405911
H 3.042431 -1.785615 -1.105453
H 2.675833 -0.137298 -1.584398
H 0.680560 1.496034 -2.172894
H -0.819762 1.026393 1.879193
H -2.594696 0.865562 -1.084521
H -2.734458 -2.825410 1.202176
H 0.716108 3.983241 -1.873291
H -0.820954 3.511343 2.166586
H -5.024296 1.242438 -0.637674
H -5.187228 -2.458722 1.638174
H -0.048353 5.000585 0.295265
H -6.333652 -0.414975 0.725993
H 6.110529 0.059581 -0.943089


