%chk=000253019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253019

0 1
O 0.479183 -0.264999 -1.869432
N -0.199811 -2.479711 -0.259375
C 0.560266 -0.124331 -0.434417
C -0.476935 -1.091336 0.245187
C 2.001135 -0.401898 -0.001205
C 0.248553 1.341397 -0.152466
C -1.922148 -0.653744 0.093050
C -1.049776 -2.874478 -1.421350
C -0.332804 -3.487175 0.835275
C 2.314744 -0.856893 1.285654
C 0.162660 2.257962 -1.209684
C 3.037301 -0.150350 -0.913910
C 0.077733 1.785603 1.166779
C -2.813761 -0.909113 1.147390
C -2.395118 -0.030867 -1.070557
C 3.647196 -1.072073 1.651418
C -0.102963 3.605080 -0.950081
C 4.367199 -0.367092 -0.547605
C -0.187687 3.133788 1.421797
C -4.158671 -0.545672 1.035958
C -3.739267 0.333988 -1.177627
C 4.675333 -0.830110 0.736128
C -0.279855 4.045341 0.365170
C -4.624740 0.076206 -0.126294
H -0.230771 -1.064364 1.347000
H 0.756195 -1.180467 -2.123240
H -0.973745 -2.106027 -2.210795
H -2.117808 -3.008123 -1.188956
H -0.661615 -3.819715 -1.832414
H -0.074864 -4.482595 0.437200
H -1.334465 -3.548213 1.285848
H 0.402011 -3.262261 1.624685
H 1.521607 -1.050713 2.007062
H 0.303772 1.910940 -2.236098
H 2.795030 0.223737 -1.910710
H 0.153055 1.087230 1.997271
H -2.462969 -1.388215 2.058702
H -1.701119 0.178739 -1.891088
H 3.882754 -1.428530 2.652196
H -0.171205 4.311825 -1.774884
H 5.165017 -0.171732 -1.261854
H -0.322567 3.474051 2.446646
H -4.843526 -0.745012 1.857842
H -4.096154 0.823716 -2.082018
H 5.711520 -0.998678 1.021176
H -0.487560 5.094016 0.566466
H -5.670860 0.361669 -0.210943


%chk=000253019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253019

0 1
O 0.587226 -0.365647 -1.916902
N -0.397887 -2.428023 -0.776665
C 0.556517 -0.142040 -0.472908
C -0.546059 -1.178157 0.082775
C 1.964720 -0.421473 0.133938
C 0.224696 1.338621 -0.201884
C -1.970246 -0.634064 0.061392
C -1.643775 -3.165422 -1.116731
C 0.623034 -3.370407 -0.238345
C 2.181428 -0.530002 1.532316
C 0.406041 2.284975 -1.238937
C 3.079898 -0.523535 -0.733624
C -0.194294 1.794320 1.073312
C -2.810694 -0.852454 1.180171
C -2.494130 0.063965 -1.058680
C 3.476467 -0.758273 2.047398
C 0.169542 3.658825 -1.008381
C 4.377554 -0.745680 -0.220320
C -0.434166 3.165711 1.304257
C -4.146355 -0.389512 1.188730
C -3.826248 0.527305 -1.053525
C 4.582543 -0.869389 1.173002
C -0.250994 4.106732 0.264609
C -4.659581 0.301708 0.068407
H -0.297940 -1.434595 1.133435
H 0.278425 -1.351499 -1.955781
H -2.370590 -2.501922 -1.606068
H -2.133109 -3.622093 -0.227800
H -1.379152 -3.974144 -1.821143
H 0.800805 -4.171759 -0.976959
H 0.292738 -3.839466 0.716458
H 1.572849 -2.846175 -0.061145
H 1.345906 -0.431132 2.235146
H 0.720727 1.924811 -2.222357
H 2.902705 -0.430783 -1.809451
H -0.358140 1.084059 1.891710
H -2.417420 -1.386431 2.055132
H -1.844025 0.250236 -1.920395
H 3.622816 -0.843122 3.130459
H 0.313602 4.378524 -1.822719
H 5.227949 -0.821072 -0.908015
H -0.768034 3.498533 2.293794
H -4.780566 -0.564462 2.065224
H -4.214162 1.071367 -1.922131
H 5.587894 -1.043797 1.572745
H -0.435741 5.171968 0.444598
H -5.693277 0.665671 0.070759


