%chk=000239588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239588

0 1
O -0.223753 -0.538040 -2.418286
O 2.745789 2.051262 -0.129140
N 1.246629 0.751700 -1.262979
N 1.300501 0.785012 1.173693
N -0.108935 -0.499153 2.461258
C -0.382574 -0.716087 -0.007722
C -1.890692 -0.375946 -0.002791
C -0.174487 -2.251430 -0.021388
C 0.310397 -0.100795 1.213330
C 0.196249 -0.179951 -1.337459
C -2.171431 1.128232 0.113807
C 1.291991 -2.654504 0.059817
C -3.669731 1.413714 0.073339
C 1.841569 1.260342 -0.034500
H -2.404415 -0.922081 0.809488
H -2.341241 -0.761393 -0.946381
H -0.620041 -2.656809 -0.958938
H -0.743579 -2.718373 0.804465
H -1.668840 1.674410 -0.711459
H -1.739545 1.536360 1.049251
H 1.877718 -2.252748 -0.778218
H 1.773648 -2.314509 0.985023
H 1.400755 -3.746420 0.022980
H 1.632703 1.103555 -2.151909
H -4.122564 1.074560 -0.866689
H -4.205131 0.923364 0.893570
H -3.865974 2.490475 0.153887
H 0.313443 -0.096112 3.288843
H -0.888857 -1.117231 2.586407


%chk=000239588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239588

0 1
O -0.215381 -0.517653 -2.439123
O 2.828414 2.069980 -0.085656
N 1.280257 0.758719 -1.209259
N 1.351332 0.794130 1.217689
N -0.106639 -0.475134 2.454729
C -0.355156 -0.691075 0.003734
C -1.887674 -0.354279 0.008234
C -0.167477 -2.252388 -0.012717
C 0.346226 -0.076907 1.224465
C 0.232615 -0.148273 -1.316928
C -2.219709 1.153162 0.070032
C 1.301375 -2.720719 0.019141
C -3.742016 1.408383 0.066291
C 1.876369 1.254332 0.004316
H -2.372274 -0.878576 0.857951
H -2.308255 -0.789204 -0.918113
H -0.659723 -2.615514 -0.933717
H -0.722478 -2.686383 0.843108
H -1.762364 1.666960 -0.798074
H -1.771104 1.603891 0.977412
H 1.859315 -2.350594 -0.859529
H 1.824046 -2.372337 0.928326
H 1.350980 -3.823765 0.002279
H 1.683310 1.121250 -2.080559
H -4.210736 1.001080 -0.848608
H -4.230938 0.931901 0.937175
H -3.964026 2.489754 0.106386
H 0.348801 -0.080860 3.278482
H -0.877486 -1.128475 2.563834


