%chk=000229954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229954

0 1
O 0.239462 4.248815 -2.319947
O -4.187434 -5.606058 -0.449217
O 5.871138 -5.319785 -1.200096
O -5.398827 -3.840938 -0.136510
O 6.883366 -3.773006 -0.076397
N 0.805649 -0.426425 0.482121
N -4.333255 -4.434891 -0.139215
N 5.911008 -4.227795 -0.656441
C -0.640343 2.862572 -0.495139
C -0.927398 3.895382 -1.587368
C -1.077032 3.355381 0.769070
C -1.519259 5.055010 -0.796719
C -1.619141 4.709267 0.585758
C 0.094514 0.814637 0.534039
C -0.063335 1.619031 -0.628092
C -0.930176 2.569973 1.902886
C -0.349688 1.300096 1.781738
C 0.384597 -1.492629 1.435333
C 1.143622 -0.975941 -0.866464
C -1.939017 6.289225 -1.252267
C -2.150651 5.606670 1.498701
C -2.474417 7.200768 -0.319460
C -2.579914 6.862979 1.028187
C -0.853649 -2.254232 1.016340
C 2.385982 -1.832539 -0.783819
C -0.749004 -3.609751 0.663996
C 2.398282 -3.095736 -1.397917
C -2.103777 -1.616493 0.984900
C 3.534045 -1.357855 -0.127879
C -1.883092 -4.328554 0.288614
C 3.549883 -3.880807 -1.362461
C -3.244499 -2.323305 0.607677
C 4.688640 -2.135708 -0.082790
C -3.126401 -3.678375 0.261106
C 4.689093 -3.396603 -0.701357
H -1.613681 3.509588 -2.374779
H 0.276827 1.277688 -1.605621
H -1.256252 2.929195 2.878140
H -0.221751 0.694372 2.679384
H 1.255296 -2.182141 1.560849
H 0.226785 -1.038415 2.446014
H 0.290259 -1.541061 -1.308883
H 1.353272 -0.129966 -1.573294
H -1.857354 6.557870 -2.304415
H -2.236200 5.355309 2.552305
H 0.902950 4.672991 -1.730341
H -2.808858 8.178453 -0.663140
H -2.999690 7.578600 1.734914
H 0.220998 -4.108937 0.685813
H 1.510991 -3.467929 -1.911027
H -2.187953 -0.560270 1.253796
H 3.513646 -0.375501 0.352423
H -1.816597 -5.388172 0.016326
H 3.576288 -4.866329 -1.841428
H -4.226631 -1.837049 0.579730
H 5.591980 -1.777878 0.424523


%chk=000229954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229954

0 1
O -0.309583 4.049631 -2.638908
O -4.101472 -5.801292 -0.671708
O 5.935967 -5.381430 -1.279711
O -5.431955 -3.972972 -0.366744
O 6.863437 -3.972026 0.255896
N 0.722584 -0.430600 0.482040
N -4.286184 -4.568127 -0.334217
N 5.907560 -4.325277 -0.537254
C -0.798912 2.877171 -0.450784
C -1.288026 3.817225 -1.557621
C -0.972073 3.487378 0.823024
C -1.691581 5.067775 -0.772059
C -1.522441 4.845744 0.628614
C 0.123413 0.859196 0.576002
C -0.272176 1.587336 -0.590012
C -0.605588 2.769229 1.982142
C -0.061287 1.474953 1.854328
C 0.339098 -1.498449 1.444577
C 1.202230 -0.910722 -0.829603
C -2.176899 6.290880 -1.258300
C -1.853832 5.858662 1.553344
C -2.500011 7.313901 -0.328344
C -2.343009 7.094340 1.062411
C -0.877719 -2.307046 0.986725
C 2.415285 -1.830598 -0.714868
C -0.738018 -3.666859 0.606672
C 2.499360 -3.004644 -1.504059
C -2.161764 -1.700671 0.916061
C 3.497918 -1.491086 0.138764
C -1.848371 -4.418577 0.172485
C 3.641901 -3.828654 -1.457094
C -3.283023 -2.432394 0.483485
C 4.646044 -2.301654 0.204166
C -3.108485 -3.786267 0.117522
C 4.700509 -3.463221 -0.598858
H -2.148215 3.386236 -2.102705
H -0.190630 1.152449 -1.590523
H -0.718189 3.208233 2.979731
H 0.260816 0.951487 2.760496
H 1.200470 -2.175168 1.584675
H 0.132819 -1.035007 2.421814
H 0.404103 -1.422980 -1.411090
H 1.507969 -0.024599 -1.415680
H -2.296567 6.454415 -2.334880
H -1.736297 5.702398 2.631561
H 0.484966 4.495168 -2.246063
H -2.875782 8.278613 -0.686511
H -2.602218 7.892495 1.767155
H 0.248087 -4.143226 0.659670
H 1.665548 -3.274473 -2.162524
H -2.280224 -0.650474 1.203791
H 3.424949 -0.585141 0.750372
H -1.760731 -5.469160 -0.116571
H 3.726749 -4.736689 -2.059681
H -4.279576 -1.986396 0.429896
H 5.492354 -2.056239 0.851152


