%chk=000211070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211070

0 1
O -1.454931 0.018999 -1.198373
O 5.870736 0.172334 0.681544
N -0.511510 -0.051331 0.901296
C -2.973711 -0.141794 0.700624
C -3.485545 -1.592697 0.604256
C -3.937227 0.875749 0.065045
C -3.770062 -2.062574 -0.828780
C -3.613965 2.315588 0.486654
C -1.613786 -0.046537 0.001657
C -4.102645 -3.551204 -0.872928
C -4.584629 3.310774 -0.143905
C 0.868451 0.013315 0.551252
C 1.309105 0.110041 -0.781889
C 1.808312 -0.020329 1.607668
C 3.616671 0.140176 -0.014685
C 2.673501 0.172384 -1.052763
C 3.165997 0.043193 1.315411
C 5.086218 0.203657 -0.246593
C 5.577019 0.307973 -1.663773
H -2.876251 0.107522 1.787890
H -2.747945 -2.271992 1.077037
H -4.408080 -1.685458 1.211859
H -3.894197 0.790447 -1.042074
H -4.977779 0.623375 0.346511
H -2.895322 -1.850217 -1.480818
H -4.605746 -1.478378 -1.261056
H -3.648812 2.409260 1.589363
H -2.576723 2.571602 0.189273
H -4.322435 -3.872999 -1.898119
H -3.268398 -4.165011 -0.514133
H -4.978259 -3.792712 -0.260387
H -4.543721 3.274823 -1.239476
H -4.347952 4.338255 0.156086
H -5.620915 3.112959 0.152234
H -0.707119 -0.120104 1.903316
H 0.583413 0.135748 -1.602723
H 1.483752 -0.094963 2.642042
H 2.999195 0.247139 -2.091906
H 3.906587 0.018229 2.123249
H 5.210217 1.215979 -2.158415
H 5.269913 -0.554716 -2.268048
H 6.677378 0.346696 -1.690225


%chk=000211070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211070

0 1
O -1.507853 0.441849 -1.266680
O 5.964271 -0.196322 0.729130
N -0.498971 -0.014842 0.802275
C -2.963519 -0.012558 0.678686
C -3.379071 -1.521988 0.625689
C -4.035307 0.926741 0.076163
C -3.658323 -2.082903 -0.787810
C -3.820346 2.413413 0.439409
C -1.610219 0.178001 -0.032741
C -3.995809 -3.589109 -0.749433
C -4.900956 3.332622 -0.168750
C 0.881166 0.006757 0.477313
C 1.366938 0.242351 -0.838554
C 1.808042 -0.221275 1.536506
C 3.687716 0.017580 -0.024274
C 2.755195 0.244408 -1.071381
C 3.186249 -0.215450 1.287119
C 5.170855 0.011885 -0.238450
C 5.714165 0.260391 -1.643095
H -2.836187 0.250235 1.752466
H -2.589464 -2.138401 1.104887
H -4.289306 -1.639972 1.248579
H -4.024196 0.819463 -1.024477
H -5.033912 0.598906 0.430309
H -2.780900 -1.910262 -1.439027
H -4.498522 -1.529330 -1.248779
H -3.815129 2.527311 1.543633
H -2.822364 2.735194 0.080986
H -4.207238 -3.978104 -1.762005
H -3.154777 -4.175387 -0.332617
H -4.885121 -3.784910 -0.120267
H -4.900165 3.263021 -1.272458
H -4.731128 4.390476 0.103009
H -5.910480 3.050022 0.185554
H -0.713805 -0.200578 1.785485
H 0.654257 0.419628 -1.645248
H 1.437766 -0.402497 2.554068
H 3.110171 0.426999 -2.091187
H 3.909366 -0.389337 2.090748
H 5.400206 1.250676 -2.022739
H 5.342100 -0.499977 -2.354960
H 6.813408 0.218474 -1.613885


