%chk=000212355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212355

0 1
O -1.849516 -0.590661 -2.059545
O 0.154896 0.530963 -1.908294
N 1.708751 0.126103 0.548456
C 0.782494 -1.031205 0.757518
C -0.065255 -1.357058 -0.506923
C 1.508637 -2.323849 1.217973
C -1.091412 -2.447585 -0.127969
C -0.826421 -0.151952 -1.124683
C 0.511371 -3.437110 1.551997
C -0.402902 -3.727590 0.355347
C 2.713000 -0.081786 -0.541699
C 2.372538 0.530599 1.832850
C 3.502803 1.217485 -0.777425
C 3.149720 1.842074 1.627190
C 4.188179 1.695815 0.507999
C -1.599425 0.715302 -0.148787
C -0.946353 1.739041 0.550882
C -2.965512 0.485084 0.066691
C -1.400083 -1.307630 -3.225033
C -0.285812 1.729836 -2.584380
C -1.655646 2.524036 1.463120
C -3.672268 1.273522 0.979270
C -3.018289 2.292525 1.678805
H 0.072633 -0.709260 1.568193
H 0.618560 -1.748352 -1.300129
H 2.136248 -2.107440 2.102140
H 2.204704 -2.666738 0.430143
H -1.744076 -2.671588 -0.995187
H -1.770959 -2.060911 0.657568
H -0.098621 -3.147093 2.429462
H 1.053983 -4.354297 1.847626
H 0.184850 -4.176253 -0.468063
H -1.163646 -4.481076 0.632972
H 2.149631 -0.333561 -1.471678
H 3.411113 -0.918381 -0.331053
H 3.056858 -0.251806 2.227519
H 1.579013 0.685616 2.595580
H 2.805871 1.998839 -1.143019
H 4.245974 1.059466 -1.578663
H 3.637263 2.137189 2.573374
H 2.440378 2.653967 1.371374
H 4.975219 0.979600 0.809613
H 4.699143 2.659991 0.332805
H 0.125302 1.904883 0.382883
H -3.474010 -0.303412 -0.492430
H -0.473706 -0.877471 -3.620290
H -2.228099 -1.175217 -3.929791
H -1.266245 -2.362556 -2.966399
H 0.467683 1.860337 -3.366915
H -0.270364 2.564834 -1.877857
H -1.286416 1.591467 -3.007113
H -1.145408 3.316190 2.006393
H -4.732568 1.094085 1.142570
H -3.569006 2.905189 2.389413


%chk=000212355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212355

0 1
O -1.848679 -0.602955 -2.134638
O 0.165819 0.651103 -1.851719
N 1.822503 0.053633 0.530105
C 0.837698 -1.049181 0.727159
C -0.101118 -1.342741 -0.493248
C 1.515111 -2.386888 1.177482
C -1.145040 -2.412128 -0.046888
C -0.852151 -0.126348 -1.141694
C 0.495509 -3.478647 1.566531
C -0.485256 -3.731574 0.404066
C 2.840657 -0.154235 -0.524853
C 2.423290 0.550458 1.790679
C 3.567757 1.171593 -0.834147
C 3.138817 1.899381 1.556622
C 4.204406 1.762890 0.444500
C -1.656459 0.716987 -0.145159
C -0.974721 1.656897 0.669175
C -3.057910 0.567260 -0.007653
C -1.298168 -1.373087 -3.256372
C -0.341955 1.841986 -2.558137
C -1.687297 2.435989 1.606414
C -3.768602 1.345836 0.934594
C -3.087112 2.282724 1.744998
H 0.179564 -0.713242 1.557461
H 0.517751 -1.781663 -1.304199
H 2.187578 -2.178426 2.031807
H 2.152534 -2.763762 0.351324
H -1.857084 -2.601702 -0.868812
H -1.742343 -1.998039 0.790799
H -0.074842 -3.150706 2.460264
H 1.022140 -4.412049 1.846792
H 0.063032 -4.184205 -0.448777
H -1.265681 -4.457473 0.704874
H 2.333876 -0.512093 -1.435455
H 3.603189 -0.919506 -0.222623
H 3.168805 -0.168662 2.222423
H 1.615241 0.670327 2.538623
H 2.825449 1.881828 -1.245885
H 4.340487 0.999218 -1.609096
H 3.602319 2.241524 2.502797
H 2.388529 2.657415 1.256422
H 5.014881 1.090184 0.796292
H 4.670785 2.743848 0.231266
H 0.112456 1.745415 0.552707
H -3.579807 -0.146572 -0.650425
H -0.379601 -0.901723 -3.652559
H -2.086842 -1.370044 -4.026124
H -1.076410 -2.420544 -2.968878
H 0.509562 2.204461 -3.155866
H -0.662367 2.623794 -1.845464
H -1.191020 1.582277 -3.217009
H -1.151277 3.162884 2.228063
H -4.853437 1.222767 1.032579
H -3.639768 2.887713 2.473264


