%chk=000184037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184037

0 1
O 4.951864 0.883452 0.271489
O 5.052372 -0.080822 1.359710
O 1.802049 -0.378167 -1.200905
O 1.144903 1.573805 -2.228649
O -0.765595 1.524143 0.627643
O -2.884235 2.130677 0.125830
N -0.404768 -0.025753 -1.490821
C 3.473595 0.709803 0.181728
C 3.564057 -0.264320 1.409271
C 3.185527 0.073072 -1.184343
C 2.768803 2.028173 0.374046
C 3.041551 0.259328 2.728343
C 3.224461 -1.716320 1.160031
C 0.867228 0.532447 -1.675653
C -1.572970 0.874443 -1.532839
C -2.822419 0.090459 -1.981185
C -3.172478 -1.057628 -1.072993
C -1.861270 1.571489 -0.190238
C -2.715338 -2.351676 -1.363552
C -3.965203 -0.839113 0.064116
C -3.049569 -3.416605 -0.522163
C -4.296543 -1.907200 0.900848
C -0.868650 2.134105 1.962168
C -3.839566 -3.197175 0.610437
C -0.582395 1.028899 2.954038
H 3.748946 -0.863455 -1.352479
H 3.376421 0.778548 -2.015998
H 1.716771 1.884151 0.662603
H 3.260557 2.638521 1.143042
H 2.759187 2.628991 -0.550103
H 1.940357 0.338194 2.724978
H 3.455709 1.251395 2.958200
H 3.331558 -0.395371 3.560579
H 3.989193 -2.201406 0.535742
H 2.259005 -1.815742 0.641441
H 3.166096 -2.298089 2.087404
H -1.362759 1.702775 -2.279080
H -0.490868 -0.847470 -0.884249
H -2.659733 -0.273123 -3.019994
H -3.680183 0.799276 -2.048089
H -2.104983 -2.530506 -2.247879
H -4.322078 0.167700 0.294656
H -2.695817 -4.420566 -0.752839
H -4.915927 -1.734176 1.780039
H -4.101751 -4.028320 1.262205
H -1.871027 2.586113 2.090027
H -0.093562 2.920211 1.939778
H -0.634718 1.396318 3.986567
H 0.424213 0.595440 2.800427
H -1.301616 0.203774 2.858168


%chk=000184037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184037

0 1
O 5.290097 0.883727 -0.164685
O 5.619379 -0.567413 0.349998
O 1.784784 -0.235908 -1.002006
O 1.037478 1.736375 -2.079999
O -1.255616 1.743611 0.792586
O -3.256426 2.335316 -0.249218
N -0.443108 0.142281 -1.196647
C 3.813245 0.612639 0.157423
C 4.266022 -0.565118 1.092397
C 3.193809 0.189203 -1.186768
C 3.133231 1.836809 0.754410
C 4.518187 -0.166805 2.550477
C 3.602651 -1.934573 0.969338
C 0.798896 0.657734 -1.479715
C -1.659253 0.899074 -1.463774
C -2.806900 -0.010664 -2.007688
C -3.163006 -1.163706 -1.077962
C -2.161298 1.725775 -0.257538
C -2.516243 -2.422153 -1.204314
C -4.137231 -1.000981 -0.056857
C -2.825280 -3.488017 -0.327937
C -4.448766 -2.065476 0.818338
C -1.642122 2.556105 1.993834
C -3.791569 -3.311567 0.688831
C -2.446594 1.704906 2.978942
H 3.731752 -0.672173 -1.611509
H 3.227241 1.040330 -1.889620
H 2.081649 1.604763 1.005786
H 3.649300 2.183497 1.662836
H 3.121021 2.659405 0.017734
H 3.569059 0.032577 3.081908
H 5.155501 0.731379 2.603608
H 5.039508 -0.988378 3.072526
H 3.382400 -2.205784 -0.073805
H 2.656591 -1.954039 1.539543
H 4.273711 -2.703157 1.395167
H -1.410248 1.644278 -2.244396
H -0.500340 -0.712579 -0.639899
H -2.477822 -0.397179 -2.988798
H -3.683070 0.640284 -2.170981
H -1.783734 -2.573144 -2.007430
H -4.656327 -0.040063 0.040689
H -2.321219 -4.454007 -0.444886
H -5.209579 -1.926602 1.594890
H -4.037558 -4.137927 1.364951
H -2.218269 3.432748 1.650215
H -0.673336 2.874599 2.410578
H -2.655513 2.293095 3.891734
H -1.886344 0.800141 3.270915
H -3.410337 1.399459 2.538282


