%chk=000231868.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231868

0 1
O 5.503698 -1.587766 -1.002193
O -5.503822 -1.587855 1.002226
N 4.971526 0.345640 0.145548
N -4.971532 0.345535 -0.145523
C 0.737936 0.297963 0.015987
C -0.737927 0.297941 -0.015942
C 3.542263 0.293333 0.077077
C -3.542262 0.293234 -0.077032
C 1.433845 1.362967 0.610817
C -1.433868 1.362926 -0.610768
C 1.460244 -0.766689 -0.547026
C -1.460205 -0.766733 0.547067
C 2.826693 1.368358 0.646374
C -2.826716 1.368278 -0.646325
C 2.853668 -0.775601 -0.522314
C -2.853629 -0.775686 0.522356
C 5.867182 -0.604506 -0.390881
C -5.867237 -0.604589 0.390880
C 7.304853 -0.257628 -0.134387
C -7.304886 -0.257639 0.134365
C 8.143427 -0.001555 -1.226466
C -8.143459 -0.001497 1.226429
C 7.808846 -0.234567 1.172196
C -7.808861 -0.234578 -1.172225
C 9.491762 0.294554 -1.005637
C -9.491775 0.294682 1.005577
C 9.158895 0.057390 1.385036
C -9.158892 0.057449 -1.385088
C 9.998367 0.324865 0.297830
C -9.998363 0.324993 -0.297897
H 0.879384 2.189656 1.055240
H -0.879430 2.189632 -1.055188
H 0.926340 -1.595090 -1.015081
H -0.926276 -1.595120 1.015117
H 3.348349 2.199780 1.113205
H -3.348393 2.199686 -1.113154
H 3.405359 -1.610349 -0.969205
H -3.405282 -1.610461 0.969247
H 5.362942 1.164979 0.617211
H -5.362927 1.164880 -0.617191
H 7.746486 -0.042634 -2.242062
H -7.746533 -0.042577 2.242030
H 7.156780 -0.455533 2.017332
H -7.156796 -0.455597 -2.017348
H 10.148401 0.495625 -1.851348
H -10.148414 0.495808 1.851274
H 9.558127 0.072287 2.398355
H -9.558110 0.072345 -2.398412
H 11.050570 0.552740 0.467051
H -11.050551 0.552923 -0.467135


%chk=000231868-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231868

0 1
O 5.642459 -1.798419 -0.687745
O -5.642570 -1.798459 0.687856
N 5.032425 0.354451 0.026515
N -5.032440 0.354404 -0.026395
C 0.743699 0.289466 -0.000721
C -0.743706 0.289456 0.000861
C 3.612889 0.280785 -0.002561
C -3.612900 0.280736 0.002697
C 1.483766 1.461839 0.320922
C -1.483789 1.461806 -0.320826
C 1.486273 -0.879968 -0.323244
C -1.486265 -0.879976 0.323424
C 2.888628 1.460769 0.320972
C -2.888650 1.460716 -0.320878
C 2.893766 -0.900561 -0.329688
C -2.893758 -0.900589 0.329867
C 5.964972 -0.643704 -0.268045
C -5.965022 -0.643720 0.268174
C 7.408400 -0.248626 -0.075023
C -7.408422 -0.248621 0.075014
C 8.383304 -0.991136 -0.789915
C -8.383411 -0.991124 0.789799
C 7.832812 0.785956 0.801519
C -7.832725 0.785981 -0.801555
C 9.753478 -0.688224 -0.655473
C -9.753566 -0.688184 0.655224
C 9.205960 1.085407 0.939371
C -9.205854 1.085460 -0.939540
C 10.169289 0.354941 0.205866
C -10.169270 0.355002 -0.206142
H 0.955229 2.377266 0.608569
H -0.955264 2.377229 -0.608506
H 0.953420 -1.793481 -0.609465
H -0.953399 -1.793472 0.609678
H 3.429669 2.378852 0.586306
H -3.429703 2.378782 -0.586247
H 3.444123 -1.804128 -0.596137
H -3.444100 -1.804154 0.596347
H 5.413935 1.274723 0.255724
H -5.413935 1.274671 -0.255654
H 8.039373 -1.804752 -1.436688
H -8.039560 -1.804755 1.436595
H 7.110918 1.334800 1.419679
H -7.110755 1.334822 -1.419630
H 10.496703 -1.264201 -1.217326
H -10.496857 -1.264155 1.216994
H 9.524352 1.877063 1.626357
H -9.524161 1.877134 -1.626545
H 11.234098 0.589005 0.313748
H -11.234064 0.589087 -0.314128


