%chk=000241945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241945

0 1
O -5.247379 0.885543 -1.200127
N -4.289370 -0.412930 0.454557
C 1.298710 0.151608 -0.854414
C -0.166257 -0.008317 -0.493429
C 2.107246 -1.076973 -0.475701
C 1.894838 1.422690 -0.275330
C -0.579588 -0.802946 0.584199
C -1.132590 0.662710 -1.255373
C -1.933122 -0.946636 0.906765
C -2.902055 -0.264913 0.123198
C -2.487382 0.537565 -0.952813
C 2.060338 -2.200922 -1.317361
C 3.010817 1.992423 -0.911479
C 2.887924 -1.120401 0.687806
C 1.369065 2.035187 0.870344
C -2.318154 -1.813285 2.064356
C 2.790845 -3.347872 -0.999534
C 3.585984 3.161229 -0.408661
C 3.619260 -2.270144 1.000557
C 1.947037 3.206780 1.368780
C 3.573671 -3.385351 0.159329
C 3.054956 3.772707 0.732186
C -5.378135 0.169612 -0.227672
C -6.716304 -0.182029 0.367352
H 1.352803 0.247913 -1.978338
H 0.168755 -1.326001 1.182918
H -0.831652 1.295636 -2.090076
H -3.228048 1.070539 -1.561999
H 1.447334 -2.182832 -2.216947
H 3.434563 1.519465 -1.795665
H 2.932185 -0.255367 1.349951
H 0.503342 1.604464 1.373705
H -2.842928 -1.242923 2.842834
H -2.956698 -2.650194 1.749171
H -1.440035 -2.264061 2.550396
H 2.750369 -4.215068 -1.656472
H 4.450148 3.597476 -0.906768
H 4.227448 -2.293988 1.903265
H 1.529153 3.679343 2.256142
H -4.489107 -1.004636 1.261912
H 4.144418 -4.278236 0.403621
H 3.502271 4.684673 1.120742
H -6.919632 -1.260014 0.341413
H -7.517254 0.306783 -0.213959
H -6.821490 0.163787 1.403420


%chk=000241945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241945

0 1
O -5.389834 0.986249 -1.172532
N -4.321782 -0.386440 0.413045
C 1.330384 0.143299 -0.858592
C -0.162185 -0.033119 -0.531935
C 2.166794 -1.091302 -0.475326
C 1.912469 1.451118 -0.290253
C -0.618247 -0.843355 0.535143
C -1.130748 0.664473 -1.293630
C -1.989127 -0.968397 0.855478
C -2.943621 -0.247871 0.071259
C -2.505408 0.566189 -1.006490
C 2.143005 -2.230279 -1.321852
C 3.057909 2.020888 -0.905554
C 2.937697 -1.147881 0.712001
C 1.363095 2.097781 0.843803
C -2.426241 -1.856063 2.010731
C 2.869533 -3.395111 -0.993612
C 3.639798 3.204411 -0.402717
C 3.665748 -2.313727 1.045800
C 1.943705 3.283100 1.351970
C 3.635133 -3.441993 0.195703
C 3.084016 3.841389 0.732244
C -5.442358 0.201512 -0.180858
C -6.763144 -0.190476 0.487289
H 1.396549 0.230760 -1.963438
H 0.110919 -1.406722 1.128688
H -0.806532 1.303623 -2.124213
H -3.247264 1.104861 -1.598199
H 1.545042 -2.202303 -2.241658
H 3.497076 1.527747 -1.782136
H 2.981155 -0.272504 1.369616
H 0.468792 1.683019 1.321550
H -2.957732 -1.286838 2.800653
H -3.093036 -2.677977 1.679154
H -1.551929 -2.327036 2.488479
H 2.842274 -4.262450 -1.663164
H 4.521052 3.631279 -0.895087
H 4.260390 -2.337380 1.966344
H 1.501664 3.772071 2.227715
H -4.515319 -0.999398 1.207650
H 4.203552 -4.343290 0.451622
H 3.531191 4.762491 1.122711
H -6.932070 -1.282338 0.437509
H -7.583709 0.317476 -0.038884
H -6.782355 0.112609 1.550773


