%chk=000246953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246953

0 1
O 0.062828 2.360403 -0.296017
O -1.135285 1.463766 1.754675
N 1.374490 -0.997280 -0.555352
C 1.203258 0.246881 0.266495
C -0.086414 0.941439 -0.272763
C 2.087333 -0.764723 -1.853674
C 2.036665 -2.087476 0.235198
C -1.355728 0.616520 0.594281
C 2.045066 -2.052064 -2.694493
C 2.013691 -3.396378 -0.572716
C 2.689523 -3.220625 -1.938037
C 2.434380 1.135069 0.313620
C -1.388236 -0.836817 1.042250
C -2.668425 1.035525 -0.058159
C 3.342040 0.955623 1.370610
C 2.713151 2.094901 -0.669973
C -1.512254 -1.857218 0.086437
C -3.857705 0.357896 0.256546
C -1.291257 -1.165691 2.400451
C -2.722068 2.131412 -0.931233
C 4.510489 1.718937 1.437103
C 3.881239 2.859278 -0.599929
C 4.784159 2.671491 0.450766
C -1.554729 -3.193214 0.492977
C -5.071752 0.756560 -0.307910
C -1.332489 -2.503722 2.802948
C -3.936979 2.529003 -1.496663
C -1.467845 -3.518391 1.850977
C -5.114221 1.841698 -1.189042
H 0.984262 -0.071154 1.327852
H -0.273331 0.682724 -1.340382
H 3.142253 -0.441554 -1.711878
H 1.568176 0.055249 -2.394019
H 1.456725 -2.226971 1.175069
H 3.080132 -1.832986 0.519612
H 2.559585 -1.882549 -3.657356
H 0.993358 -2.300565 -2.938212
H 0.961357 -3.715760 -0.715518
H 2.509399 -4.196570 0.005373
H 2.605061 -4.151046 -2.528503
H 3.772508 -3.036251 -1.805728
H 0.122028 2.708031 0.633596
H 3.137042 0.221933 2.148308
H 2.001001 2.265050 -1.479964
H -1.987118 1.777740 2.122064
H -1.554178 -1.607544 -0.973995
H -3.843762 -0.490980 0.942727
H -1.174137 -0.372464 3.140740
H -1.808413 2.690847 -1.168244
H 5.207322 1.572363 2.259984
H 4.085218 3.605363 -1.365765
H 5.693407 3.266006 0.502851
H -1.652585 -3.981800 -0.250701
H -5.985884 0.219632 -0.060646
H -1.259042 -2.753748 3.859381
H -3.962940 3.378699 -2.177072
H -1.503083 -4.559541 2.164917
H -6.059886 2.150245 -1.630962


%chk=000246953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246953

0 1
O 0.078589 1.599927 -1.390059
O -0.825697 1.921986 1.056818
N 1.655663 -1.212871 -1.230884
C 1.086228 -0.358202 -0.135742
C -0.199918 0.354140 -0.669185
C 2.209826 -0.515633 -2.421962
C 2.593385 -2.253260 -0.734742
C -1.313921 0.661299 0.407407
C 2.422166 -1.524660 -3.570543
C 2.843540 -3.317525 -1.825730
C 3.369656 -2.662406 -3.124597
C 2.110710 0.535070 0.581342
C -1.433683 -0.463861 1.447972
C -2.690565 0.967761 -0.227671
C 2.520683 0.180829 1.894313
C 2.737309 1.655074 -0.033653
C -2.005855 -1.708050 1.075144
C -3.818838 1.059111 0.634223
C -0.960129 -0.293621 2.770539
C -2.871241 1.231639 -1.609710
C 3.507843 0.919038 2.582757
C 3.725050 2.396043 0.653087
C 4.114974 2.035690 1.963475
C -2.098550 -2.762837 2.007966
C -5.091269 1.406608 0.132247
C -1.063333 -1.346803 3.708692
C -4.148543 1.565802 -2.113517
C -1.629222 -2.585825 3.331620
C -5.262082 1.659244 -1.248356
H 0.729962 -1.091003 0.612498
H -0.624019 -0.345376 -1.413226
H 3.193739 -0.034065 -2.191214
H 1.513657 0.283961 -2.724170
H 2.146975 -2.727020 0.160606
H 3.572886 -1.810007 -0.422557
H 2.837899 -0.996032 -4.450620
H 1.441888 -1.948592 -3.863692
H 1.890417 -3.840795 -2.035989
H 3.564774 -4.068367 -1.447591
H 3.478023 -3.419710 -3.924508
H 4.379703 -2.241000 -2.938208
H 0.069045 2.308272 -0.685603
H 2.054620 -0.685146 2.382543
H 2.446708 1.948078 -1.045717
H -1.615846 2.445746 1.346316
H -2.387688 -1.847096 0.056887
H -3.705331 0.827701 1.700411
H -0.506076 0.662492 3.048245
H -2.011147 1.203877 -2.283467
H 3.803221 0.624001 3.596463
H 4.192832 3.257825 0.162236
H 4.882236 2.613194 2.491888
H -2.540658 -3.718924 1.705781
H -5.947347 1.467569 0.813491
H -0.698339 -1.199358 4.731626
H -4.271050 1.762015 -3.184721
H -1.706916 -3.402588 4.058024
H -6.249545 1.921844 -1.644079


