%chk=000247098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247098

0 1
O 2.471101 -1.441457 -1.722378
O 2.232578 -2.102797 0.449582
O 2.301914 0.377096 2.436554
O 3.056271 3.479781 -0.903769
O -5.917678 -0.415237 -0.233846
N 2.351687 1.237826 -1.024536
N 2.798565 2.140191 1.021256
C 1.930385 0.191402 -0.044448
C 0.432995 -0.130376 -0.079995
C 2.781324 -1.077536 -0.369433
C 2.342104 0.822810 1.324197
C -0.472863 1.062014 0.244404
C 2.752962 2.433840 -0.385717
C -1.919570 0.657539 0.156091
C -2.645450 0.875618 -1.030530
C -2.551222 0.054977 1.250908
C 3.602776 -1.546996 -2.608706
C 2.890976 -3.383265 0.345898
C -3.980983 0.503946 -1.123165
C -3.894666 -0.328955 1.184088
C -4.595052 -0.098784 -0.005114
C -6.658449 -1.038382 0.842091
H 0.240081 -0.967261 0.634289
H 0.177872 -0.556348 -1.075643
H 3.864791 -0.944690 -0.201432
H 1.957267 1.224537 -1.960130
H -0.251356 1.450803 1.260980
H -0.266958 1.907763 -0.442193
H 3.137204 2.805589 1.710858
H -2.157549 1.340867 -1.886720
H -1.993126 -0.121480 2.171218
H 4.100415 -0.576984 -2.707596
H 4.293795 -2.321017 -2.265081
H 3.133622 -1.840749 -3.557268
H 3.929585 -3.306975 0.676819
H 2.303081 -4.000647 1.037943
H 2.810637 -3.761354 -0.678151
H -4.559603 0.665259 -2.029516
H -4.366913 -0.793289 2.042569
H -6.215432 -2.004649 1.099271
H -7.648663 -1.168808 0.386282
H -6.710155 -0.369423 1.705769


%chk=000247098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247098

0 1
O 2.550618 -1.358723 -1.825327
O 2.269740 -2.141970 0.433019
O 2.152414 0.335643 2.447420
O 3.343227 3.393032 -0.940392
O -6.112852 -0.387813 -0.196269
N 2.274363 1.261549 -1.003359
N 2.897429 2.050300 0.992621
C 1.883409 0.192538 -0.064195
C 0.367209 -0.136925 -0.087679
C 2.740278 -1.073373 -0.392636
C 2.311356 0.815827 1.302860
C -0.542020 1.084192 0.209218
C 2.885947 2.353650 -0.408658
C -2.016170 0.711645 0.137460
C -2.783678 0.962035 -1.031545
C -2.656954 0.070533 1.224732
C 3.796887 -1.570968 -2.579023
C 3.056387 -3.377133 0.327954
C -4.137446 0.585734 -1.114712
C -4.015756 -0.314877 1.164048
C -4.758345 -0.056046 -0.014569
C -6.798571 -1.049594 0.914542
H 0.194032 -0.929410 0.660085
H 0.121284 -0.565668 -1.077314
H 3.824826 -0.873244 -0.210769
H 2.158041 1.171062 -2.010780
H -0.304023 1.470936 1.219617
H -0.320010 1.894458 -0.511010
H 3.268322 2.702939 1.683619
H -2.315173 1.464419 -1.886898
H -2.087501 -0.129202 2.141251
H 4.444827 -0.672003 -2.553780
H 4.365942 -2.441150 -2.197535
H 3.485527 -1.768468 -3.616649
H 4.134345 -3.178983 0.505654
H 2.670830 -4.042948 1.114014
H 2.917429 -3.848110 -0.662943
H -4.732626 0.781068 -2.012098
H -4.476139 -0.803949 2.027877
H -6.330666 -2.024416 1.155475
H -7.828164 -1.210490 0.562223
H -6.810276 -0.411698 1.820149


