%chk=000219564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219564

0 1
O 1.091356 -0.282877 -1.765837
O -5.514937 -3.805645 0.100690
O -5.199992 -3.426128 2.276736
N -1.174714 0.737279 -0.678415
N 3.340894 -1.838446 -1.221706
C -0.182286 1.405400 0.203605
C 1.060548 0.565223 0.447245
C 0.176587 2.749207 -0.416078
C 1.643950 -0.246276 -0.513236
C 1.662306 0.619642 1.739576
C 2.815612 -1.036135 -0.215065
C 3.382207 -0.964227 1.083519
C -2.025673 -0.263693 -0.200980
C 2.781105 -0.112471 2.055778
C -0.252463 3.924467 0.217945
C 0.915861 2.830654 -1.603773
C 4.543241 -1.765622 1.340728
C -2.255147 -0.466533 1.184170
C -2.746903 -1.038617 -1.152067
C 0.064509 5.170579 -0.329953
C 1.228642 4.078808 -2.149145
C 0.805528 5.250182 -1.513320
C -3.190804 -1.402008 1.598111
C -3.678510 -1.967618 -0.720463
C 5.055374 -2.555772 0.345031
C -3.912225 -2.161968 0.656143
C 4.416804 -2.565061 -0.942079
C -4.885713 -3.137453 1.140688
H -0.685088 1.583612 1.200795
H -0.882954 0.672605 -1.659906
H 1.209542 1.271369 2.490520
H 3.222599 -0.054791 3.049354
H -0.839377 3.873324 1.133511
H 1.251870 1.919445 -2.103364
H -1.701333 0.109189 1.920831
H -2.572993 -0.895923 -2.215248
H 4.998029 -1.730761 2.331310
H -0.269892 6.080929 0.165179
H 1.803890 4.137556 -3.071854
H 1.050621 6.221426 -1.939050
H 1.572037 -0.939843 -2.359613
H -3.377205 -1.562664 2.664975
H -4.242357 -2.564935 -1.444216
H 5.934012 -3.178729 0.502508
H 4.819567 -3.194781 -1.745974
H -6.176525 -4.465920 0.434195


%chk=000219564-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219564

0 1
O 1.220630 -0.342699 -1.807179
O -5.601809 -3.803964 0.107623
O -4.944600 -3.635825 2.329340
N -1.165833 0.777958 -0.658527
N 3.288583 -1.852619 -1.175991
C -0.158575 1.464808 0.170503
C 1.076990 0.595005 0.462987
C 0.188073 2.824777 -0.456803
C 1.667880 -0.244492 -0.492310
C 1.658470 0.619505 1.774451
C 2.802961 -1.059335 -0.150359
C 3.366789 -1.021208 1.171149
C -2.019297 -0.219101 -0.204601
C 2.767286 -0.151025 2.136273
C -0.349176 4.008113 0.107869
C 1.010186 2.924216 -1.609111
C 4.494860 -1.873029 1.407101
C -2.093787 -0.606305 1.171411
C -2.882519 -0.872801 -1.142302
C -0.070472 5.271048 -0.461025
C 1.284058 4.186149 -2.181811
C 0.747945 5.363350 -1.609870
C -3.008320 -1.586559 1.581672
C -3.786733 -1.854685 -0.722950
C 4.983138 -2.677388 0.371632
C -3.869625 -2.225834 0.649509
C 4.349499 -2.638546 -0.912433
C -4.806011 -3.250413 1.137804
H -0.634375 1.678964 1.147103
H -1.023453 0.849345 -1.667438
H 1.200164 1.280382 2.521273
H 3.174448 -0.100200 3.151807
H -0.993492 3.940505 0.993302
H 1.430966 2.018270 -2.057891
H -1.425340 -0.157909 1.911847
H -2.831993 -0.589640 -2.200604
H 4.964643 -1.887419 2.397073
H -0.491285 6.177382 -0.011591
H 1.919483 4.251307 -3.072264
H 0.965896 6.341092 -2.053852
H 1.827628 -1.035232 -2.229078
H -3.067994 -1.885746 2.633751
H -4.442905 -2.347387 -1.445947
H 5.842278 -3.337111 0.524826
H 4.718616 -3.261088 -1.734580
H -6.204276 -4.478613 0.520010


