%chk=000183406.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183406

0 1
O 1.362973 -1.117971 -0.322618
N -1.270737 -0.904043 0.225914
N 2.569256 0.519341 -1.338758
N 6.000939 -0.500041 -0.152111
C -1.032795 0.344685 -0.361288
C -2.263738 1.105950 -0.382169
C -3.280095 0.262576 0.223537
C -2.638182 -0.973188 0.588721
C 0.170619 0.865925 -0.875563
C -2.266414 2.383332 -0.923771
C 3.827801 -0.258373 -1.264798
C 0.117368 2.160542 -1.413788
C -4.639984 0.431936 0.484936
C 1.385117 0.013675 -0.809456
C 4.671162 0.184202 -0.047899
C -3.341002 -2.016598 1.201665
C -1.068747 2.902181 -1.437885
C -5.338929 -0.609561 1.096361
C -4.697658 -1.812704 1.447692
C 5.924382 -1.896619 0.371876
C 7.048094 0.269711 0.583991
H -0.557370 -1.620565 0.349313
H -3.182031 2.972677 -0.949853
H 3.585151 -1.346339 -1.190202
H 4.401271 -0.116100 -2.207632
H 1.020676 2.610200 -1.828782
H 4.817424 1.284557 -0.072136
H 4.125736 -0.039039 0.893815
H -5.140427 1.359183 0.215237
H -2.848877 -2.945206 1.472998
H -1.062837 3.902746 -1.865649
H 2.634628 1.464753 -1.695870
H -6.400233 -0.494434 1.307471
H -5.278791 -2.602751 1.923597
H 5.147021 -2.451394 -0.178985
H 5.701883 -1.977587 1.445941
H 6.883518 -2.402040 0.175958
H 8.017079 -0.241750 0.463365
H 6.860101 0.398836 1.659622
H 7.152448 1.265193 0.123904


%chk=000183406-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183406

0 1
O 1.366407 -1.130767 -0.306918
N -1.262672 -0.858328 0.232844
N 2.579366 0.555470 -1.337715
N 6.016242 -0.506474 -0.085335
C -1.043280 0.371812 -0.378762
C -2.281713 1.108619 -0.405075
C -3.282861 0.257513 0.230256
C -2.609944 -0.957773 0.612721
C 0.168668 0.888184 -0.912766
C -2.305562 2.394081 -0.984705
C 3.842280 -0.196879 -1.291674
C 0.098729 2.185052 -1.489329
C -4.662196 0.405066 0.506553
C 1.400180 0.043782 -0.829840
C 4.719285 0.206883 -0.079279
C -3.287840 -2.013132 1.258135
C -1.110117 2.923751 -1.525606
C -5.345933 -0.646830 1.152432
C -4.663924 -1.840894 1.522491
C 5.898032 -1.929948 0.298807
C 7.050242 0.187279 0.710229
H -0.488215 -1.524507 0.333970
H -3.232347 2.977211 -1.019345
H 3.574719 -1.264530 -1.234898
H 4.414166 -0.024852 -2.221153
H 0.989869 2.648903 -1.930200
H 4.927721 1.292889 -0.137689
H 4.135944 0.032175 0.859255
H -5.195197 1.320181 0.224819
H -2.769358 -2.933777 1.545279
H -1.114698 3.919377 -1.981253
H 2.592831 1.500713 -1.719394
H -6.414138 -0.548018 1.373603
H -5.218563 -2.642720 2.022909
H 5.189067 -2.453765 -0.363721
H 5.549625 -2.069210 1.353390
H 6.881752 -2.421313 0.193534
H 8.017804 -0.333201 0.591685
H 6.817642 0.231831 1.804660
H 7.173789 1.222043 0.343788


