%chk=000239119.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239119

0 1
O -1.760386 2.325307 1.489402
O -2.592263 4.582606 -0.174535
N 5.699920 -0.669486 -0.114753
N -3.196838 -4.262228 -0.501409
C 0.061252 0.395805 0.515142
C 1.532840 0.068165 0.359971
C -0.829177 -0.796169 0.224319
C -0.317700 1.610018 -0.310867
C -1.259750 2.524288 0.200462
C 2.479797 0.846884 1.043969
C -0.996110 -1.773329 1.219648
C 1.984565 -0.981170 -0.451036
C -1.489746 -0.967209 -0.999093
C 0.241036 1.856616 -1.571910
C 4.300244 -0.478765 0.117191
C -2.478658 -3.056172 -0.225278
C 3.841909 0.581799 0.932558
C -1.807978 -2.883709 1.008089
C 3.344743 -1.259363 -0.571131
C -2.307985 -2.072787 -1.224912
C -1.624337 3.666224 -0.542738
C -0.136256 2.979667 -2.314805
C -1.062021 3.891948 -1.809556
C 6.612703 -0.153978 0.944626
C 6.106348 -2.034489 -0.554338
C -3.724551 -4.994322 0.684474
C -4.220251 -4.180467 -1.581528
C -3.026850 1.607626 1.495553
C -2.517155 5.084487 1.186430
H -0.112204 0.678324 1.598505
H 2.147486 1.675909 1.669808
H -0.477870 -1.666026 2.173282
H 1.265480 -1.597575 -0.994268
H -1.370023 -0.227663 -1.792908
H 0.984019 1.165764 -1.973206
H 4.548119 1.211303 1.468421
H -1.904898 -3.626166 1.796809
H 3.660120 -2.078338 -1.213423
H -2.799809 -2.174648 -2.189616
H 0.305503 3.149502 -3.296616
H -1.360007 4.773532 -2.373092
H 6.442572 0.928885 1.079386
H 7.657961 -0.273666 0.616785
H 6.491901 -0.651380 1.919149
H 7.182130 -2.036822 -0.792863
H 5.572000 -2.294123 -1.485395
H 5.910426 -2.820216 0.191348
H -4.481102 -4.434053 1.254813
H -4.167950 -5.948813 0.357192
H -2.889403 -5.246538 1.361753
H -4.635703 -5.183972 -1.768645
H -5.050897 -3.493350 -1.358823
H -3.737672 -3.855224 -2.520271
H -3.253874 1.544847 2.564082
H -2.892670 0.612381 1.057813
H -3.783087 2.182713 0.953632
H -3.424358 5.693936 1.253713
H -1.615651 5.693665 1.292408
H -2.524685 4.262214 1.911682


%chk=000239119-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239119

0 1
O -1.996690 2.167955 1.428178
O -2.776468 4.468194 -0.136556
N 5.753569 -0.922545 0.062937
N -3.476174 -4.103190 -0.339453
C 0.101360 0.404550 0.610087
C 1.580552 0.011753 0.461703
C -0.863055 -0.761291 0.334726
C -0.259161 1.652521 -0.213767
C -1.333536 2.479598 0.213054
C 2.575480 0.757654 1.143895
C -1.130687 -1.709563 1.353987
C 2.020975 -1.057507 -0.354297
C -1.493478 -0.963785 -0.917096
C 0.413675 1.990832 -1.413812
C 4.390518 -0.617068 0.193160
C -2.621350 -3.013092 -0.119958
C 3.945553 0.462087 1.022372
C -1.984052 -2.809009 1.146048
C 3.388148 -1.373035 -0.491352
C -2.353456 -2.056939 -1.149270
C -1.701954 3.633839 -0.533634
C 0.020930 3.111868 -2.179020
C -1.035635 3.938601 -1.739650
C 6.755006 -0.129681 0.782127
C 6.174188 -2.043706 -0.782362
C -3.722785 -5.070738 0.734010
C -4.108692 -4.283663 -1.649550
C -3.390841 1.690620 1.257052
C -2.584992 5.158419 1.158952
H -0.055184 0.687442 1.669983
H 2.269382 1.595994 1.783542
H -0.656895 -1.584883 2.336196
H 1.280151 -1.668341 -0.882772
H -1.321568 -0.246645 -1.728251
H 1.253755 1.368988 -1.740618
H 4.668394 1.068910 1.575630
H -2.156161 -3.507385 1.970332
H 3.671328 -2.214662 -1.130302
H -2.816005 -2.161401 -2.135098
H 0.546072 3.349319 -3.110735
H -1.352633 4.822993 -2.301720
H 6.718635 0.941727 0.494659
H 7.762322 -0.507677 0.544468
H 6.621012 -0.188379 1.882740
H 7.272357 -2.130202 -0.758443
H 5.867517 -1.903491 -1.840042
H 5.749391 -3.008364 -0.433928
H -4.183940 -4.594347 1.624199
H -4.413287 -5.849983 0.373715
H -2.788691 -5.571006 1.065094
H -4.738377 -5.187548 -1.632206
H -4.756884 -3.423745 -1.918732
H -3.359113 -4.406727 -2.459157
H -3.773423 1.532327 2.277348
H -3.395194 0.736092 0.700342
H -3.997139 2.449743 0.729769
H -3.517070 5.718157 1.332799
H -1.731884 5.861021 1.092994
H -2.410616 4.430591 1.971079


