%chk=000201758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201758

0 1
O -4.169696 -0.321770 0.463370
O -2.874701 -2.866545 -0.087400
O -2.679267 1.953607 0.194511
O 1.877482 -0.151921 -1.813657
O 4.456181 -1.201974 1.995682
N 2.097400 -1.506479 0.009449
N 4.838436 0.398327 0.432930
C -0.108895 -0.613980 -0.524048
C -0.654671 0.660410 -0.321772
C -0.881181 -1.764210 -0.438978
C -2.843744 -0.382385 0.068761
C -2.261060 -1.647360 -0.146590
C -2.016319 0.770530 -0.021655
C 3.548037 -1.678122 -0.174557
C 1.354797 -0.708415 -0.858722
C 4.309486 -0.813692 0.842082
C 4.698261 0.962524 -0.923682
C 5.615799 1.210730 1.397473
C -5.014712 0.518975 -0.370794
C -4.295406 -2.919652 0.212206
C -1.914375 3.183327 0.097595
H -0.019546 1.537453 -0.412427
H -0.466710 -2.757102 -0.608713
H 3.833324 -1.457245 -1.230996
H 3.823206 -2.744568 0.014865
H 1.703643 -1.887280 0.867971
H 4.648016 2.063261 -0.887461
H 5.552306 0.677562 -1.560467
H 3.761777 0.621080 -1.418147
H 5.716745 0.667436 2.360009
H 6.627207 1.412790 1.011134
H 5.108865 2.167196 1.602459
H -4.972304 0.190213 -1.410680
H -4.708802 1.567855 -0.269429
H -6.002574 0.351623 0.070827
H -4.862462 -2.453605 -0.597825
H -4.499665 -2.423169 1.168606
H -4.467880 -4.000643 0.266261
H -2.683275 3.936984 0.311871
H -1.127721 3.200649 0.857772
H -1.512103 3.303484 -0.912533


%chk=000201758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201758

0 1
O -4.245098 -0.214162 0.561345
O -2.643200 -2.706735 0.655871
O -3.005103 2.099136 -0.329320
O 1.840573 0.754909 -1.460191
O 4.508045 -2.053281 1.341255
N 2.116512 -1.332393 -0.481881
N 5.041335 0.097475 0.601224
C -0.121985 -0.301209 -0.489154
C -0.849303 0.908755 -0.609118
C -0.778053 -1.473330 -0.065343
C -2.901991 -0.246079 0.144510
C -2.161541 -1.459188 0.248741
C -2.216688 0.937537 -0.284326
C 3.552571 -1.395841 -0.789096
C 1.338184 -0.248428 -0.846065
C 4.409054 -1.127007 0.468645
C 4.916260 1.230803 -0.338000
C 5.921337 0.313439 1.765445
C -5.249498 0.227117 -0.431996
C -4.075914 -2.980121 0.859208
C -2.331607 3.354721 -0.679664
H -0.306553 1.792824 -0.952597
H -0.281183 -2.446228 0.001333
H 3.745841 -0.704465 -1.621541
H 3.805237 -2.423455 -1.104590
H 1.740462 -2.052987 0.135603
H 4.936551 2.172056 0.240728
H 5.759197 1.254834 -1.057506
H 3.959220 1.200177 -0.884403
H 5.988206 -0.627887 2.331463
H 6.929760 0.621037 1.429803
H 5.511394 1.103710 2.423324
H -5.241217 -0.445025 -1.312855
H -5.055418 1.265765 -0.743315
H -6.216210 0.153623 0.089166
H -4.651442 -2.811418 -0.069537
H -4.493804 -2.359994 1.666725
H -4.104943 -4.047971 1.127609
H -3.114242 4.124949 -0.616608
H -1.520079 3.582309 0.036899
H -1.920769 3.317928 -1.706491


