%chk=000257067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257067

0 1
O 3.767934 -0.128400 -0.389541
N 1.839873 0.943379 -0.993076
N 2.045916 -0.191858 1.122050
C -0.267449 0.301199 0.204961
C -1.607309 0.901472 0.695781
C -0.470142 -1.009960 -0.585218
C 0.452676 1.351341 -0.692099
C 0.626578 0.058771 1.457071
C -2.615565 1.189940 -0.424685
C -1.223574 -2.100180 0.188259
C 2.616766 0.187158 -0.106580
C -3.908519 1.785383 0.128502
C -1.277235 -3.407139 -0.599543
H -1.412856 1.835722 1.259284
H -2.069603 0.209815 1.428352
H 0.518677 -1.402499 -0.901372
H -1.005544 -0.792459 -1.529904
H -0.096462 1.481041 -1.650583
H 0.452486 2.341881 -0.180985
H 0.592723 0.953279 2.123208
H 0.227872 -0.797878 2.045129
H -2.843454 0.256935 -0.978744
H -2.176545 1.884146 -1.167347
H -2.253546 -1.762054 0.417193
H -0.734752 -2.276748 1.167645
H 2.286463 1.320172 -1.822745
H 2.519139 -0.934461 1.632417
H -4.397751 1.106942 0.836839
H -3.729987 2.731683 0.651791
H -4.625513 1.987975 -0.675752
H -1.780817 -3.278968 -1.564493
H -0.273295 -3.797168 -0.806169
H -1.820883 -4.181460 -0.046645


%chk=000257067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257067

0 1
O 3.883726 -0.086997 -0.309943
N 1.874681 0.920667 -0.949639
N 2.011824 -0.260756 1.079264
C -0.260436 0.308696 0.205142
C -1.608564 0.925024 0.682133
C -0.450680 -1.034986 -0.565532
C 0.480571 1.330299 -0.709449
C 0.643165 0.118191 1.460388
C -2.666690 1.186621 -0.415076
C -1.220923 -2.152264 0.176014
C 2.664914 0.185908 -0.067785
C -3.960395 1.798628 0.165536
C -1.325713 -3.436100 -0.677085
H -1.394551 1.884401 1.200018
H -2.054689 0.259452 1.449425
H 0.546770 -1.422756 -0.847907
H -0.975241 -0.819710 -1.518854
H -0.034075 1.405954 -1.685299
H 0.436577 2.335385 -0.233817
H 0.637925 1.063240 2.047962
H 0.224231 -0.669174 2.113436
H -2.912497 0.239764 -0.933842
H -2.255962 1.869466 -1.184866
H -2.240144 -1.806659 0.439845
H -0.714055 -2.396638 1.130667
H 2.361216 1.234928 -1.788237
H 2.599466 -0.785525 1.725780
H -4.415251 1.124311 0.915562
H -3.755084 2.764399 0.664852
H -4.711547 1.980187 -0.624684
H -1.853450 -3.237461 -1.629069
H -0.321664 -3.826820 -0.927149
H -1.877152 -4.232674 -0.144795


