%chk=000214740.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214740

0 1
O -0.958802 -2.569462 1.681625
O 0.939696 0.153740 0.663213
O 0.688279 -1.758771 -0.528824
N -3.997049 -0.584644 -0.398687
N -3.053456 -1.435501 0.073338
N 4.494692 0.285758 -0.420399
C -2.459108 0.725764 0.571373
C -3.682151 0.748541 -0.121770
C -1.769640 1.948420 1.045917
C -4.439182 1.968484 -0.493350
C -2.353834 3.192627 0.348273
C -3.891530 3.169049 0.308162
C -2.099474 -0.650864 0.676874
C -0.874921 -1.202960 1.326174
C -5.179533 -1.094074 -1.104468
C 0.314257 -1.030768 0.353511
C 3.318134 -0.260463 0.324350
C 2.099857 0.554234 -0.130428
C 4.722588 -0.478314 -1.693886
C 5.729650 0.321119 0.430334
C 5.545624 0.367436 -2.666468
C 5.615061 1.430177 1.477132
H -0.675396 1.874514 0.854915
H -1.879752 2.037648 2.147125
H -5.523810 1.848296 -0.301579
H -4.333416 2.159029 -1.582837
H -1.957539 3.252896 -0.684184
H -2.007541 4.105742 0.866428
H -4.284727 3.127126 1.343107
H -4.270503 4.109628 -0.131794
H -0.660410 -0.695003 2.303150
H -5.140681 -2.199468 -1.185120
H -6.103041 -0.825739 -0.560637
H -5.229465 -0.680043 -2.127451
H 3.136835 -1.344449 0.151037
H 3.448050 -0.145167 1.422368
H 1.868267 0.418787 -1.199685
H 2.184573 1.626439 0.118981
H 5.216408 -1.459403 -1.524324
H 3.732233 -0.701022 -2.152567
H 5.941363 -0.652357 0.922846
H 6.597136 0.536633 -0.234487
H -1.306813 -3.110371 0.923576
H 5.583143 -0.099061 -3.656115
H 6.575709 0.507340 -2.320087
H 5.108650 1.368819 -2.780612
H 6.562297 1.568839 2.007680
H 4.840677 1.214910 2.222208
H 5.347994 2.385708 1.005761


%chk=000214740-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214740

0 1
O -1.063855 -2.656328 1.393241
O 1.019936 0.198401 0.785298
O 0.715505 -1.622320 -0.652226
N -3.909859 -0.517566 -0.618864
N -2.920178 -1.375742 -0.150138
N 4.636600 0.179969 -0.339784
C -2.548719 0.780267 0.610356
C -3.716263 0.782268 -0.174743
C -2.006265 2.025291 1.272162
C -4.579157 1.977052 -0.475061
C -2.668849 3.285618 0.649398
C -4.204725 3.123365 0.507586
C -2.098420 -0.574814 0.598739
C -0.880486 -1.226314 1.224951
C -5.002981 -1.051936 -1.429414
C 0.356710 -0.950452 0.335978
C 3.476925 -0.156547 0.519338
C 2.235791 0.600452 0.010000
C 4.751378 -0.715082 -1.525607
C 5.912246 0.350537 0.402966
C 5.418891 -0.029224 -2.732661
C 5.964951 1.661503 1.210436
H -0.906357 2.075195 1.168141
H -2.214461 1.999181 2.362087
H -5.656466 1.734575 -0.383540
H -4.419493 2.317113 -1.519703
H -2.231927 3.473237 -0.352080
H -2.443077 4.171367 1.272517
H -4.638450 2.905165 1.503531
H -4.657006 4.069371 0.155355
H -0.683335 -0.801047 2.222855
H -4.725424 -2.072393 -1.730630
H -5.948579 -1.090540 -0.857747
H -5.154854 -0.436293 -2.332796
H 3.262062 -1.249054 0.532611
H 3.680278 0.148405 1.560861
H 2.061552 0.393577 -1.060166
H 2.334060 1.683033 0.179763
H 5.304372 -1.652941 -1.268240
H 3.730447 -1.029276 -1.811636
H 6.112362 -0.518714 1.079431
H 6.730605 0.362801 -0.339697
H -1.647917 -2.963683 0.647514
H 5.460412 -0.721150 -3.594604
H 6.453798 0.287635 -2.508055
H 4.845497 0.867888 -3.024672
H 6.935009 1.755345 1.733600
H 5.168276 1.704991 1.975460
H 5.838839 2.527612 0.537591


