%chk=000194543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194543

0 1
O 1.010297 0.034497 1.925032
O 4.011003 -0.042216 -0.675584
O -0.748374 0.070952 3.318490
O 4.262633 4.704093 -0.645156
O 4.252545 -4.703773 -0.576086
O -5.178957 0.060620 0.925664
N -4.189280 0.082015 -1.154310
N -9.068274 -0.055494 -0.783035
C 1.295221 0.013022 0.454726
C -0.098618 0.026335 -0.158573
C 2.088361 1.248232 0.154323
C 2.050356 -1.254169 0.187603
C -1.069736 0.050866 0.866395
C 3.383727 1.162540 -0.375309
C 3.350361 -1.221310 -0.346398
C -0.364681 0.055281 2.184002
C -0.480962 0.019270 -1.489056
C 1.572769 2.532854 0.424501
C 1.499457 -2.511206 0.494321
C -2.423546 0.067849 0.600131
C -2.816463 0.061255 -0.763147
C -1.851221 0.036918 -1.790647
C 4.167659 2.284363 -0.675234
C 4.097366 -2.371580 -0.615426
C 2.309618 3.675639 0.148617
C 2.204171 -3.686052 0.250237
C 3.602663 3.533995 -0.399476
C 3.497299 -3.597391 -0.303377
C -5.308665 0.081939 -0.280173
C -6.634692 0.123030 -1.003927
C -7.793659 -0.107374 -0.014510
H 0.260066 0.000865 -2.288113
H 0.573998 2.619789 0.861929
H 0.499247 -2.558427 0.934524
H -3.165173 0.085321 1.411007
H -2.157557 0.031559 -2.835748
H 5.163125 2.161993 -1.088096
H 5.100041 -2.319042 -1.034026
H 1.922523 4.671939 0.352923
H 1.767799 -4.649319 0.492413
H -4.358374 0.089926 -2.162882
H 5.172944 4.557297 -1.011812
H 3.795223 -5.545644 -0.319169
H -6.763703 1.098257 -1.519170
H -6.695188 -0.642217 -1.808751
H -7.683656 -1.110120 0.457435
H -7.732360 0.634273 0.813202
H -9.372759 0.903147 -0.919024
H -9.808374 -0.540099 -0.284858


%chk=000194543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194543

0 1
O 1.094643 0.125144 1.939994
O 4.199749 -0.114492 -0.294831
O -0.722737 0.255076 3.402763
O 4.529209 4.693438 -0.774617
O 4.169636 -4.877083 -0.412850
O -5.288231 0.432222 1.198628
N -4.283139 0.309325 -0.919836
N -9.034712 -0.448783 -0.887513
C 1.318214 0.060165 0.389636
C -0.117883 0.116375 -0.123606
C 2.161961 1.260068 0.015723
C 2.032712 -1.245611 0.108571
C -1.033964 0.195631 0.941518
C 3.543968 1.130129 -0.257934
C 3.423542 -1.281701 -0.165861
C -0.291606 0.199780 2.237082
C -0.586676 0.100705 -1.449661
C 1.618715 2.572456 0.007064
C 1.357996 -2.488386 0.199525
C -2.427035 0.260829 0.754357
C -2.903485 0.246041 -0.584557
C -1.977033 0.166021 -1.669802
C 4.366781 2.243557 -0.527879
C 4.127592 -2.487747 -0.340361
C 2.407563 3.700400 -0.256656
C 2.029739 -3.710001 0.031017
C 3.790981 3.529671 -0.520720
C 3.425604 -3.702137 -0.235394
C -5.388828 0.405945 -0.062834
C -6.739291 0.470705 -0.774469
C -7.726938 -0.590684 -0.221132
H 0.106072 0.041265 -2.295006
H 0.553591 2.704190 0.224388
H 0.285526 -2.492739 0.420044
H -3.117869 0.321910 1.597321
H -2.358100 0.156680 -2.699134
H 5.429317 2.077421 -0.736050
H 5.198984 -2.479183 -0.550890
H 1.988487 4.709656 -0.254438
H 1.483406 -4.657298 0.114297
H -4.497062 0.290384 -1.919613
H 5.484867 4.486741 -0.925603
H 3.600716 -5.677828 -0.296204
H -7.168060 1.475903 -0.590809
H -6.657605 0.344318 -1.869854
H -7.336021 -1.600739 -0.445408
H -7.752688 -0.488938 0.885873
H -9.543392 0.404656 -0.635153
H -9.631011 -1.278956 -0.832725


