%chk=000222742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222742

0 1
O 1.904930 -0.621107 0.357720
N 5.109385 1.021267 -0.305056
C -1.416203 -2.375692 0.237093
C -2.290861 -1.415608 -0.595829
C -2.833012 -0.245582 0.235117
C -3.754306 0.654276 -0.598586
C -0.123108 -1.713125 0.748075
C -4.285618 1.857437 0.210133
C -1.111864 -3.645052 -0.569917
C 0.807012 -1.234897 -0.365161
C -4.905624 2.895483 -0.736331
C -5.312198 1.415883 1.261264
C 2.927911 -0.069278 -0.506394
C 4.006181 0.390772 0.487930
C 6.427373 0.822166 0.367835
C 4.850427 2.477021 -0.515824
H -2.003588 -2.679474 1.142377
H -3.136750 -1.982446 -1.031792
H -1.717168 -1.030970 -1.459629
H -3.381118 -0.630900 1.116754
H -1.990903 0.350339 0.639574
H -4.602754 0.065627 -0.994741
H -3.205993 1.021867 -1.487190
H -0.371030 -0.851279 1.401475
H 0.429660 -2.417780 1.401548
H -3.424757 2.337754 0.739023
H -0.444055 -4.316189 -0.018427
H -2.026974 -4.204350 -0.792110
H -0.628387 -3.417656 -1.525562
H 0.335069 -0.477676 -1.014082
H 1.199943 -2.064388 -0.976383
H -4.171689 3.270599 -1.456801
H -5.290124 3.757736 -0.181314
H -5.741945 2.475313 -1.304919
H -5.664947 2.265785 1.854386
H -4.883070 0.684635 1.954759
H -6.189718 0.951929 0.798695
H 2.499140 0.764137 -1.086377
H 3.303197 -0.847693 -1.191400
H 3.552942 1.058784 1.250712
H 4.378349 -0.495583 1.046072
H 6.635159 -0.258260 0.433247
H 6.504520 1.253997 1.376016
H 7.219139 1.263753 -0.258593
H 3.879764 2.603063 -1.021118
H 5.622307 2.880494 -1.190629
H 4.841056 3.083970 0.401259


%chk=000222742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222742

0 1
O 1.940227 -0.720148 0.477383
N 5.181390 1.029227 -0.205842
C -1.461485 -2.482798 0.135584
C -2.347568 -1.470242 -0.642528
C -2.826455 -0.253720 0.182627
C -3.821855 0.633390 -0.600099
C -0.173495 -1.852335 0.738552
C -4.255977 1.935402 0.126365
C -1.148763 -3.717805 -0.745516
C 0.780129 -1.212483 -0.278336
C -5.108445 2.819459 -0.815111
C -5.025430 1.643250 1.437412
C 2.935578 -0.064300 -0.377940
C 4.085257 0.368821 0.543469
C 6.473992 0.956208 0.505648
C 4.859077 2.415918 -0.601878
H -2.060883 -2.838679 1.001760
H -3.239300 -2.012181 -1.022259
H -1.805007 -1.114057 -1.543484
H -3.297521 -0.617831 1.118123
H -1.957296 0.363752 0.489236
H -4.729514 0.040470 -0.844188
H -3.361467 0.908015 -1.573042
H -0.441752 -1.080390 1.484240
H 0.389250 -2.633396 1.285998
H -3.334215 2.499204 0.388042
H -0.504437 -4.439628 -0.209529
H -2.079792 -4.241282 -1.032764
H -0.630194 -3.431467 -1.680089
H 0.294910 -0.363152 -0.809923
H 1.116536 -1.948871 -1.041608
H -4.556086 3.071752 -1.739957
H -5.400148 3.766121 -0.322973
H -6.037026 2.292413 -1.109414
H -5.353644 2.582413 1.920801
H -4.405245 1.090810 2.165906
H -5.928742 1.036294 1.229899
H 2.473430 0.804996 -0.896976
H 3.318850 -0.764893 -1.150587
H 3.672915 1.015308 1.357802
H 4.486533 -0.540705 1.025925
H 6.730200 -0.098694 0.707988
H 6.479124 1.507968 1.480659
H 7.270498 1.384916 -0.129358
H 3.935850 2.440607 -1.205558
H 5.677406 2.822590 -1.222793
H 4.716287 3.098853 0.275229


