%chk=000242648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242648

0 1
O -0.752676 -0.350856 1.787217
O -2.161966 -0.691607 -1.222785
O -2.152241 -2.021168 0.710982
O 2.119749 -1.217837 0.910686
O 3.001547 -0.963174 -1.256964
O 0.996950 3.134708 -0.575626
N -1.020052 2.429040 0.362809
C -0.836143 1.061599 -0.149704
C 0.146578 0.244786 0.750408
C -2.151464 0.257742 -0.098580
C -2.036590 -0.626698 1.193777
C 0.995449 -0.815572 0.026186
C -2.656963 -1.991441 -0.683765
C 1.690184 -0.289972 -1.264137
C 3.403405 -1.027977 0.162981
C -2.006152 -3.116290 -1.478316
C -4.194212 -2.025384 -0.695674
C 4.068763 0.283032 0.616691
C 4.270514 -2.268086 0.354307
C -0.047777 3.396933 0.127458
C -0.303577 4.755902 0.771688
H -0.479521 1.137567 -1.188984
H 0.827703 0.913554 1.299777
H -3.052753 0.899659 -0.120517
H -2.790755 -0.462539 1.980671
H 0.389532 -1.716560 -0.167157
H 1.174134 -0.601344 -2.185312
H 1.805289 0.811815 -1.248338
H -1.795980 2.631265 0.995398
H -2.287802 -3.038770 -2.542047
H -0.909660 -3.060290 -1.391996
H -2.340988 -4.093304 -1.091790
H -4.567892 -1.996898 -1.733640
H -4.551145 -2.949962 -0.210921
H -4.615505 -1.163910 -0.147633
H 4.232581 0.258900 1.707966
H 3.435778 1.155540 0.378116
H 5.042610 0.409760 0.112078
H 4.542146 -2.379433 1.417599
H 5.194222 -2.181898 -0.243602
H 3.714187 -3.162347 0.031834
H 0.328699 5.507591 0.276703
H -1.361621 5.063681 0.693170
H -0.030481 4.729144 1.843084


%chk=000242648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242648

0 1
O -0.640583 -0.107394 1.890093
O -1.764714 -0.576000 -1.195914
O -1.874780 -1.871346 0.754285
O 2.339372 -0.769707 1.058278
O 3.042663 -0.916821 -1.206423
O -0.839758 3.785630 -1.405013
N -1.008717 2.603277 0.589095
C -0.692114 1.307077 -0.024249
C 0.282875 0.509677 0.884731
C -1.940795 0.391784 -0.098751
C -1.874789 -0.467920 1.212026
C 1.161823 -0.533384 0.183578
C -2.256117 -1.883327 -0.686593
C 1.833954 -0.075085 -1.127560
C 3.416735 -1.311430 0.192723
C -1.501452 -2.998996 -1.397704
C -3.784109 -1.982644 -0.825907
C 4.724097 -0.634747 0.604654
C 3.451828 -2.842943 0.245356
C -1.049927 3.778012 -0.155041
C -1.360239 5.045206 0.633997
H -0.316822 1.515759 -1.039178
H 0.944782 1.180405 1.457755
H -2.873982 0.968233 -0.220858
H -2.683392 -0.331232 1.947079
H 0.600908 -1.473588 0.041002
H 1.224981 -0.277284 -2.022834
H 2.107059 0.999852 -1.087890
H -1.159647 2.630238 1.599867
H -1.734730 -2.983826 -2.475699
H -0.414581 -2.876554 -1.267918
H -1.799775 -3.976374 -0.983254
H -4.070428 -1.961194 -1.891428
H -4.139809 -2.925907 -0.377490
H -4.287885 -1.145295 -0.311610
H 4.937061 -0.835500 1.669119
H 4.647711 0.455024 0.457171
H 5.559124 -1.019605 -0.005229
H 3.778422 -3.184235 1.242772
H 4.152728 -3.229688 -0.514572
H 2.450168 -3.257268 0.040138
H -2.269454 5.514051 0.219883
H -1.507635 4.870075 1.713715
H -0.533956 5.763896 0.497898


