%chk=000260229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260229

0 1
O 3.587953 2.323385 2.809633
O 3.448630 -2.798626 -3.112504
N -2.206495 2.554932 0.059326
N -2.124838 -2.688840 -0.039239
C -4.412639 0.433076 0.609911
C -4.392839 -0.592974 -0.529849
C -4.583467 1.874679 0.116431
C -4.505780 -2.039299 -0.033554
C -3.420622 2.374871 -0.759296
C -3.309109 -2.497418 0.819042
C -1.189538 1.775600 -0.121352
C -1.052906 -1.998311 0.178526
C 0.033306 1.958235 0.689603
C 0.141322 -2.204758 -0.669137
C 0.012885 2.672326 1.897426
C 0.037347 -2.787430 -1.950360
C 1.246270 1.405493 0.229078
C 1.399942 -1.821762 -0.183664
C 1.175144 2.828295 2.657848
C 1.165549 -2.967195 -2.738602
C 2.414349 1.549102 0.965357
C 2.550910 -1.995470 -0.957178
C 2.364528 2.264038 2.181732
C 2.419502 -2.566716 -2.229222
C 3.674319 3.050765 4.059053
C 4.790821 -2.444496 -2.699860
H -5.235393 0.196546 1.313205
H -3.479938 0.352971 1.202961
H -3.464580 -0.477990 -1.123907
H -5.224918 -0.389648 -1.232460
H -4.688464 2.546107 0.994491
H -5.526010 1.971078 -0.456254
H -4.603937 -2.714803 -0.909679
H -5.433571 -2.167788 0.556370
H -3.288282 1.705858 -1.637634
H -3.673115 3.383985 -1.164929
H -3.536742 -3.495764 1.264719
H -3.155657 -1.799092 1.670680
H -1.128105 0.953707 -0.856563
H -0.920945 -1.241880 0.972122
H -0.926093 3.114747 2.243778
H -0.944834 -3.102144 -2.315696
H 1.272003 0.861118 -0.717946
H 1.493019 -1.382796 0.812095
H 1.140021 3.381835 3.589497
H 1.107129 -3.412271 -3.729193
H 3.359710 1.134057 0.626101
H 3.515932 -1.696119 -0.564067
H 4.737010 2.938574 4.310816
H 3.039902 2.581480 4.816227
H 3.417142 4.102714 3.904842
H 5.380292 -2.742000 -3.577175
H 5.082476 -3.022138 -1.818093
H 4.863307 -1.367244 -2.526154


%chk=000260229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260229

0 1
O 3.802561 2.477636 2.745158
O 3.594758 -2.908461 -3.027851
N -2.285463 2.613255 0.352301
N -2.328836 -2.846855 -0.347483
C -4.463847 0.354181 0.653548
C -4.488914 -0.572777 -0.588395
C -4.653725 1.852049 0.317520
C -4.688994 -2.068190 -0.248121
C -3.490221 2.479922 -0.489465
C -3.511526 -2.711954 0.524677
C -1.164706 2.078717 -0.053329
C -1.186864 -2.351772 0.049299
C 0.094173 2.195431 0.708885
C 0.052254 -2.476281 -0.742003
C 0.151062 2.881919 1.950875
C 0.064919 -3.129071 -2.010313
C 1.290586 1.623422 0.192422
C 1.268889 -1.953607 -0.236310
C 1.359782 2.998997 2.663194
C 1.253933 -3.251562 -2.740757
C 2.505121 1.733982 0.890303
C 2.476365 -2.070821 -0.959397
C 2.544352 2.422773 2.129166
C 2.466997 -2.724756 -2.216907
C 3.904983 3.188072 4.023467
C 4.878126 -2.402425 -2.533312
H -5.278013 0.044676 1.341099
H -3.516655 0.226548 1.213741
H -3.557086 -0.459103 -1.176455
H -5.318762 -0.251670 -1.251483
H -4.764341 2.433546 1.253225
H -5.590410 1.981213 -0.262575
H -4.832416 -2.646047 -1.181567
H -5.611118 -2.186921 0.357036
H -3.305914 1.897848 -1.423373
H -3.793756 3.503575 -0.787766
H -3.816228 -3.736014 0.820982
H -3.300063 -2.140668 1.459875
H -1.094109 1.511257 -1.010634
H -1.082569 -1.814576 1.021263
H -0.774355 3.321658 2.337424
H -0.878217 -3.533445 -2.391582
H 1.264441 1.087104 -0.764082
H 1.275128 -1.446027 0.736335
H 1.374799 3.534051 3.617529
H 1.281291 -3.750696 -3.714302
H 3.432840 1.305079 0.499170
H 3.399636 -1.662544 -0.537352
H 4.963369 3.108286 4.311394
H 3.270447 2.715721 4.798178
H 3.626786 4.254069 3.914190
H 5.608422 -2.661888 -3.313493
H 5.160847 -2.888525 -1.579528
H 4.852143 -1.303731 -2.397118


