%chk=000103472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000103472

0 1
O -2.952948 -2.340419 -0.678395
O 5.077481 1.017185 -0.304707
N -1.474482 0.170420 0.478784
N 3.373878 -0.342672 0.463828
N -5.557775 2.602464 -0.476677
C -1.618980 -1.210669 1.001353
C -1.635825 -2.292784 -0.108389
C -2.676751 0.664104 -0.247950
C -1.214890 -3.666329 0.433527
C -0.193056 0.630199 0.074903
C -3.382740 1.707413 0.646001
C 0.969978 -0.096632 0.402936
C -1.161143 -4.706355 -0.680300
C -0.068889 1.881642 -0.576879
C 2.235067 0.441898 0.093505
C 1.195026 2.383692 -0.874831
C 2.357066 1.681940 -0.549040
C -4.592260 2.204248 0.018215
C 4.733445 -0.007457 0.243451
C 5.695394 -1.045391 0.754973
H -0.800723 -1.403325 1.732054
H -2.565273 -1.257052 1.586482
H -1.016216 -1.985579 -0.984856
H -3.369379 -0.181325 -0.486895
H -2.410195 1.114784 -1.230879
H -0.223699 -3.590959 0.922542
H -1.914905 -3.997755 1.225298
H -2.686623 2.551858 0.870680
H -3.619788 1.261842 1.640784
H 0.895424 -1.057493 0.898709
H -2.094428 -4.717765 -1.261150
H -1.003974 -5.714593 -0.281851
H -0.350164 -4.500514 -1.389674
H -0.946853 2.462439 -0.841426
H -3.566096 -2.858832 -0.122794
H 1.282336 3.350398 -1.375549
H 3.339324 2.094898 -0.792040
H 3.166506 -1.225848 0.933688
H 5.619533 -1.193005 1.840012
H 6.731125 -0.722373 0.550313
H 5.565971 -2.019198 0.265441


%chk=000103472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103472

0 1
O -2.704242 -2.472480 -1.097969
O 5.181194 1.188354 -0.153283
N -1.490646 0.059015 0.125094
N 3.385614 -0.238798 0.368419
N -5.527047 2.883212 -0.015326
C -1.621380 -1.250997 0.776632
C -1.527414 -2.457024 -0.197841
C -2.721239 0.722887 -0.312410
C -1.365546 -3.801063 0.544615
C -0.227061 0.648818 -0.089445
C -3.248571 1.740256 0.758837
C 0.977328 -0.048049 0.219180
C -1.196795 -5.000330 -0.411897
C -0.106783 1.971038 -0.623113
C 2.248777 0.551314 0.021909
C 1.163473 2.543006 -0.821312
C 2.358025 1.863092 -0.504600
C -4.504929 2.384253 0.347754
C 4.743681 0.082111 0.275744
C 5.668684 -1.043752 0.746616
H -0.854967 -1.352586 1.569463
H -2.603430 -1.295956 1.289859
H -0.682692 -2.298727 -0.891640
H -3.487542 -0.045519 -0.503333
H -2.561784 1.244295 -1.272181
H -0.488459 -3.735180 1.220120
H -2.248452 -3.960507 1.201702
H -2.482001 2.514577 0.945485
H -3.412353 1.211708 1.717152
H 0.941614 -1.074862 0.600544
H -2.033090 -5.048893 -1.131110
H -1.159455 -5.953975 0.144508
H -0.263186 -4.909581 -0.997227
H -0.992323 2.555746 -0.886154
H -3.481238 -2.822233 -0.587784
H 1.225456 3.557206 -1.232002
H 3.339232 2.312225 -0.656300
H 3.174664 -1.170259 0.734946
H 5.486400 -1.298085 1.807486
H 6.709622 -0.707212 0.638960
H 5.528360 -1.959944 0.143100


