%chk=000181227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181227

0 1
O 1.362734 1.562928 1.276606
O 4.236845 0.596885 -0.336514
O 3.356995 -1.509950 -0.074824
O 5.446776 0.045069 0.169828
N -2.734798 1.545390 0.220346
N 2.115562 -0.071505 -2.532812
N 0.001379 -0.085880 2.021825
C -0.549379 0.166568 -1.126741
C 0.759890 -0.147519 -0.343134
C -1.723507 -0.565383 -0.509228
C 2.034080 0.305571 -1.108438
C -0.778984 1.647698 -1.197728
C -2.782938 0.131460 0.131900
C 0.734967 0.547686 1.020723
C -1.798881 2.259592 -0.570871
C -1.773318 -1.962485 -0.577801
C -3.843737 -0.597529 0.714552
C 3.255106 -0.371308 -0.450689
C -2.824664 -2.677644 -0.002167
C -3.916011 2.293550 0.712676
C -3.854295 -1.988692 0.646609
C 5.458872 0.253927 1.598834
H -0.431134 -0.221824 -2.174090
H 0.826453 -1.257738 -0.188757
H 2.141505 1.427069 -1.015772
H -0.047264 2.218569 -1.762233
H -1.938497 3.345211 -0.602043
H -0.976121 -2.505702 -1.088347
H -4.660893 -0.085661 1.215751
H 1.496167 0.494315 -3.103895
H 1.889168 -1.050957 -2.681655
H -2.844282 -3.763253 -0.061691
H -4.192319 1.938983 1.722251
H -4.789112 2.181267 0.046733
H -3.685161 3.368689 0.801783
H -4.676812 -2.543376 1.099266
H -0.670671 -0.809474 1.818442
H -0.122157 0.387945 2.905230
H 6.492195 -0.022595 1.847492
H 4.741130 -0.414774 2.084701
H 5.257413 1.300777 1.843584


%chk=000181227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181227

0 1
O 1.787752 1.092785 1.439976
O 4.230290 0.665707 -0.544547
O 3.451694 -1.447007 0.189695
O 5.598247 0.294114 0.054454
N -2.827342 1.586550 0.260034
N 1.954196 -0.609114 -2.458204
N -0.069939 -0.164851 2.018481
C -0.572334 0.193979 -1.063135
C 0.739892 -0.292741 -0.311986
C -1.835124 -0.516553 -0.558376
C 1.997557 0.069150 -1.147479
C -0.739877 1.698821 -1.005155
C -2.894439 0.184834 0.111263
C 0.869589 0.276837 1.111402
C -1.777758 2.295792 -0.358556
C -1.971009 -1.910675 -0.752350
C -4.015309 -0.546555 0.601868
C 3.273885 -0.353449 -0.379141
C -3.087981 -2.634200 -0.277264
C -3.905899 2.316979 0.935960
C -4.106388 -1.940740 0.413650
C 5.557628 0.740742 1.461951
H -0.379756 -0.121738 -2.109971
H 0.692892 -1.398564 -0.235536
H 2.037336 1.157627 -1.310335
H 0.010993 2.336241 -1.479946
H -1.860886 3.384847 -0.298417
H -1.175986 -2.442026 -1.291099
H -4.824102 -0.027848 1.123772
H 2.571275 -0.190986 -3.161522
H 2.084574 -1.625784 -2.392441
H -3.160131 -3.713818 -0.442527
H -4.030733 1.977740 1.982280
H -4.875869 2.196987 0.413140
H -3.656461 3.389375 0.955829
H -4.978909 -2.479787 0.799369
H -0.832598 -0.783190 1.740791
H -0.032738 0.196548 2.971346
H 6.582031 0.523708 1.815498
H 4.817139 0.163709 2.041317
H 5.346900 1.822455 1.525613


