%chk=000271430.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271430

0 1
O 3.022306 1.046000 0.217484
O -3.084209 1.084030 -0.190687
N 1.217910 -0.137288 -0.785047
N -1.526809 0.003195 -1.630815
N 3.315946 -1.249146 -0.058958
N -3.320733 -1.221294 -0.415732
C 0.434355 -1.420935 -0.847509
C -0.716240 1.263435 -1.508683
C 0.425590 1.089972 -0.472725
C -0.709146 -1.219492 -1.873429
C -0.075716 -1.870861 0.518129
C -0.185234 1.644598 -2.889435
C 2.475410 -0.220677 -0.194994
C -2.591805 -0.152919 -0.742808
C 4.327431 0.721660 0.617217
C -4.232631 0.693695 0.513304
C 4.516988 -0.689218 0.450961
C -4.386051 -0.724772 0.381092
C 5.304505 1.577122 1.099863
C -5.102635 1.497707 1.232014
C 5.744272 -1.260723 0.786878
C -5.462489 -1.359413 1.001143
C 6.525645 0.975863 1.429482
C -6.172802 0.833849 1.844364
C 6.737427 -0.406052 1.276204
C -6.346024 -0.557404 1.730585
H 1.135069 -2.206922 -1.254428
H -1.396776 2.084420 -1.142697
H 1.102884 1.977049 -0.513342
H 0.004974 1.054697 0.557075
H -0.284411 -1.117625 -2.900413
H -1.367996 -2.120477 -1.887533
H 0.755253 -2.133935 1.187545
H -0.682790 -1.111772 1.023776
H -0.712725 -2.762964 0.430780
H 0.208858 2.667590 -2.889362
H 0.629767 0.984433 -3.217611
H -0.976106 1.593528 -3.650507
H 5.132506 2.642586 1.213826
H -4.962836 2.571040 1.311872
H 5.911153 -2.329163 0.667965
H -5.600374 -2.434949 0.912284
H 7.333978 1.596695 1.815062
H -6.892000 1.411997 2.424289
H 7.707493 -0.823058 1.547323
H -7.197581 -1.023906 2.226398


%chk=000271430-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271430

0 1
O 3.405891 1.103054 0.226100
O -3.421395 1.125880 0.007460
N 1.371344 -0.143370 0.230231
N -1.373783 -0.057866 -0.299220
N 3.535467 -1.222182 -0.003883
N -3.524673 -1.190191 -0.310974
C 0.628971 -1.438519 0.243691
C -0.632125 1.232801 -0.314779
C 0.618764 1.074899 0.587337
C -0.621529 -1.281871 -0.652824
C 0.288886 -1.886418 1.682306
C -0.277764 1.677793 -1.752447
C 2.734351 -0.167014 0.152977
C -2.736005 -0.118298 -0.220695
C 4.780234 0.745166 0.085650
C -4.791412 0.728487 0.064600
C 4.845068 -0.671141 -0.056196
C -4.839711 -0.682351 -0.129596
C 5.891096 1.589385 0.084513
C -5.911515 1.535197 0.267831
C 6.101477 -1.290892 -0.210536
C -6.088270 -1.336317 -0.120593
C 7.150121 0.950990 -0.072142
C -7.162502 0.862502 0.274145
C 7.248038 -0.458983 -0.216164
C -7.243893 -0.543027 0.083649
H 1.301974 -2.182449 -0.216859
H -1.288666 1.989301 0.146968
H 1.279551 1.947057 0.469905
H 0.297900 1.023431 1.647401
H -0.310701 -1.237003 -1.715566
H -1.299957 -2.140668 -0.528068
H 1.204526 -1.931519 2.296776
H -0.433648 -1.203764 2.163656
H -0.162869 -2.894149 1.665142
H 0.174065 2.685863 -1.735735
H 0.447509 0.990904 -2.222771
H -1.184881 1.718507 -2.379848
H 5.801888 2.673278 0.196396
H -5.835270 2.616169 0.412629
H 6.179639 -2.376144 -0.320566
H -6.153517 -2.418104 -0.267199
H 8.060117 1.559971 -0.081689
H -8.079213 1.441090 0.428574
H 8.237489 -0.914055 -0.334436
H -8.227465 -1.025236 0.095050


