%chk=000242350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242350

0 1
O -2.944163 0.568011 -0.330324
N -5.834113 -1.672225 0.461196
C -5.270349 0.712341 0.154841
C -5.587641 -0.615636 -0.574682
C -3.875324 0.643006 0.799289
C -5.372683 1.895542 -0.809080
C -5.335138 -3.001304 -0.000311
C -7.284120 -1.753987 0.809028
C -1.611847 0.395942 -0.058215
C -0.817319 0.331756 -1.224053
C -1.045429 0.289688 1.219746
C 1.150088 0.059383 0.182742
C 0.554594 0.166092 -1.091636
C 0.336381 0.116693 1.325688
C 2.599132 -0.121005 0.335066
C 3.514154 0.444475 -0.466681
C 4.964056 0.256705 -0.303471
C 5.505414 -1.005655 -0.007681
C 5.824907 1.358262 -0.458732
C 6.886721 -1.160611 0.135677
C 7.203561 1.197039 -0.309288
C 7.738017 -0.061596 -0.012423
H -6.005949 0.854686 0.988018
H -6.439959 -0.478184 -1.270118
H -4.713197 -0.888085 -1.207745
H -3.760804 -0.268607 1.413918
H -3.632946 1.547715 1.378075
H -5.207566 2.847823 -0.293392
H -4.610263 1.824816 -1.598221
H -6.353246 1.945618 -1.291791
H -4.248210 -2.932738 -0.173954
H -5.809862 -3.384258 -0.914943
H -5.486744 -3.740311 0.802597
H -7.407598 -2.452453 1.652289
H -7.939389 -2.084439 -0.010072
H -7.631583 -0.766789 1.151791
H -1.292330 0.413439 -2.198131
H -1.654259 0.335792 2.115954
H 1.178823 0.109021 -1.984110
H 0.786408 0.032641 2.315485
H 2.899977 -0.750651 1.177778
H 3.225179 1.102370 -1.289875
H 4.847766 -1.865947 0.101277
H 5.413967 2.339517 -0.688311
H 7.300301 -2.141709 0.362998
H 7.865031 2.053998 -0.425018
H 8.812655 -0.184278 0.101305


%chk=000242350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242350

0 1
O -3.033406 0.676291 -0.251449
N -5.742411 -1.822530 0.045828
C -5.395518 0.663807 0.336547
C -5.748248 -0.500414 -0.626643
C -3.969588 0.492259 0.880019
C -5.606120 2.034176 -0.344932
C -5.442982 -2.939231 -0.874185
C -6.962979 -2.076341 0.836938
C -1.666878 0.521704 -0.004890
C -0.814243 0.731043 -1.122786
C -1.104545 0.182152 1.251320
C 1.170984 0.260173 0.267094
C 0.574314 0.602358 -0.986521
C 0.294872 0.055875 1.369571
C 2.618561 0.112317 0.466026
C 3.603149 0.280937 -0.474061
C 5.052832 0.130840 -0.270496
C 5.641293 -0.243236 0.975135
C 5.928234 0.369022 -1.371049
C 7.037666 -0.369564 1.108159
C 7.326656 0.242888 -1.238680
C 7.891510 -0.127488 0.003584
H -6.063456 0.606259 1.221769
H -6.735211 -0.286736 -1.110624
H -4.988804 -0.516880 -1.429816
H -3.856462 -0.531014 1.289294
H -3.744592 1.247525 1.661079
H -5.373014 2.864160 0.347424
H -4.948246 2.136160 -1.225338
H -6.654545 2.150877 -0.676088
H -4.479346 -2.754979 -1.380400
H -6.225568 -3.093126 -1.660104
H -5.352592 -3.879299 -0.299763
H -6.853591 -3.021981 1.397898
H -7.885029 -2.153098 0.205222
H -7.122859 -1.267441 1.571090
H -1.269787 0.994256 -2.082730
H -1.738671 0.014350 2.126319
H 1.205750 0.769926 -1.865689
H 0.722758 -0.208340 2.344989
H 2.913333 -0.161987 1.489472
H 3.311112 0.560170 -1.496706
H 5.003782 -0.438414 1.844656
H 5.497967 0.657202 -2.338753
H 7.466649 -0.658494 2.074694
H 7.975153 0.432879 -2.101508
H 8.977216 -0.227113 0.111589


