%chk=000235009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235009

0 1
O 0.407048 -0.115728 1.397397
O -1.881212 -0.288558 -1.870692
O 4.252273 0.567372 -1.162660
O 5.023304 -0.511192 0.638644
N -1.779779 0.991412 0.018413
N 1.709693 0.160446 -0.455264
N -4.338797 -1.410679 -1.353503
C -0.410377 1.446972 -0.290566
C -0.108176 2.862897 0.279761
C 2.679716 -0.865116 -0.034754
C 2.612817 -2.170803 -0.886727
C -3.730246 -0.540261 -0.316877
C 0.578673 0.422513 0.314242
C -3.601184 -1.336275 1.015527
C -2.378019 0.023171 -0.797624
C -0.358305 2.955124 1.786008
C -0.916813 3.915125 -0.481934
C 2.774170 -1.896782 -2.381975
C 1.300885 -2.901824 -0.598914
C -2.310593 -2.154126 1.080938
C -3.716452 -0.399018 2.222033
C 4.092787 -0.288323 -0.094601
H -0.306233 1.474413 -1.413869
H 0.982329 3.052854 0.094848
H 2.473817 -1.132994 1.050243
H 3.463415 -2.819117 -0.547369
H -4.435098 0.323046 -0.161885
H -2.059326 1.070861 1.004464
H -4.472765 -2.045881 1.047813
H 1.829832 0.525777 -1.398697
H 0.061944 2.091988 2.324240
H -1.425088 3.005938 2.028504
H 0.105741 3.854965 2.206620
H -0.667673 3.930461 -1.548682
H -0.729906 4.920143 -0.086095
H -1.995961 3.730288 -0.405116
H 1.871016 -1.452820 -2.819183
H 2.963170 -2.826634 -2.931933
H 3.609506 -1.216243 -2.590983
H 0.427839 -2.318706 -0.923133
H 1.260467 -3.861068 -1.127955
H 1.170932 -3.108271 0.470305
H -1.419959 -1.528933 1.254622
H -2.343768 -2.873221 1.908107
H -2.138050 -2.725778 0.163215
H -2.898172 0.332682 2.266975
H -4.665113 0.148810 2.223863
H -3.671584 -0.969273 3.159423
H -3.769032 -2.241727 -1.504281
H -4.372857 -0.923624 -2.248942
H 5.166567 0.958816 -1.203889


%chk=000235009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235009

0 1
O 0.475914 0.065560 1.577060
O -2.050378 -0.296695 -1.766361
O 4.114299 1.043177 -1.074392
O 5.245032 -0.467443 0.279779
N -1.773169 1.056085 0.104215
N 1.700425 0.184696 -0.401279
N -4.796939 -0.675264 -1.146823
C -0.410973 1.456742 -0.267757
C -0.104338 2.948956 0.089986
C 2.796285 -0.659410 0.080045
C 2.762622 -2.124112 -0.500256
C -3.847499 -0.329151 -0.069173
C 0.615530 0.502548 0.391014
C -3.678124 -1.541376 0.914415
C -2.484511 0.136212 -0.649992
C -0.322392 3.269050 1.588798
C -0.928896 3.896151 -0.812112
C 2.932353 -2.148099 -2.037074
C 1.460480 -2.834863 -0.071764
C -3.030579 -2.770718 0.237101
C -2.926244 -1.158056 2.211059
C 4.166842 -0.044186 -0.184921
H -0.352001 1.335299 -1.366095
H 0.971815 3.099140 -0.137341
H 2.670914 -0.738542 1.177189
H 3.627518 -2.641231 -0.038847
H -4.287826 0.500903 0.519354
H -2.074435 1.240236 1.063463
H -4.722486 -1.805790 1.174339
H 1.770361 0.572886 -1.343264
H 0.181872 2.537378 2.243530
H -1.399721 3.279778 1.844664
H 0.071435 4.274778 1.821443
H -0.704840 3.735894 -1.883078
H -0.709169 4.952102 -0.570366
H -2.011731 3.729752 -0.664397
H 2.088986 -1.638105 -2.539718
H 2.943930 -3.192259 -2.397107
H 3.875529 -1.672387 -2.363901
H 0.578327 -2.345849 -0.524052
H 1.474609 -3.887206 -0.409485
H 1.329393 -2.821315 1.024750
H -1.990838 -2.560001 -0.074552
H -3.008190 -3.622693 0.941614
H -3.599647 -3.088170 -0.654632
H -1.857432 -0.940892 2.030259
H -3.385494 -0.275698 2.701512
H -2.974607 -1.992199 2.935135
H -4.328083 -1.240004 -1.869250
H -5.214100 0.157240 -1.581803
H 5.037573 1.380250 -1.232831


