%chk=000249706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249706

0 1
O -4.763742 -1.232201 -0.773895
O 6.830799 -0.687061 0.130393
N -5.868689 -1.763333 -0.128132
C -1.777372 0.071737 -0.043089
C -0.850489 1.247911 -0.483828
C 0.558689 1.088982 0.100308
C 1.163167 -0.243159 -0.425727
C 2.568219 -0.493441 0.223107
C -3.149768 0.563960 -0.627151
C -1.227024 -1.210487 -0.687721
C 0.220357 -1.451339 -0.226910
C -1.664084 2.508082 -0.144680
C -3.136000 2.101724 -0.396279
C 1.458651 2.266577 -0.319398
C 3.422854 0.768391 0.123512
C -1.880787 -0.093134 1.478090
C 3.245219 -1.655760 -0.555951
C 2.911734 1.985979 -0.104552
C 2.440547 -0.848930 1.716208
C 4.896907 0.608455 0.377492
C -4.329834 -0.106266 -0.041841
C 4.715386 -1.861525 -0.187840
C 5.495994 -0.560364 -0.411676
C -5.157503 0.059424 1.040615
C -6.123960 -1.015557 0.948309
H -0.751538 1.210536 -1.600449
H 0.508925 1.055308 1.214062
H 1.322760 -0.119135 -1.526191
H -3.152524 0.366003 -1.731426
H -1.268150 -1.140603 -1.790448
H -1.856776 -2.080753 -0.422613
H 0.213231 -1.745950 0.843123
H 0.627651 -2.323672 -0.773756
H -1.367493 3.366023 -0.767317
H -1.510758 2.815716 0.903096
H -3.769513 2.387057 0.459585
H -3.550358 2.622702 -1.274624
H 1.162813 3.175207 0.242745
H 1.298350 2.513386 -1.390616
H -0.895257 -0.251488 1.932662
H -2.318921 0.789813 1.954589
H -2.504034 -0.954563 1.744005
H 3.164270 -1.459391 -1.643319
H 2.688143 -2.594513 -0.373308
H 3.549883 2.868032 -0.156269
H 3.416454 -1.086296 2.154409
H 2.020999 -0.011847 2.285844
H 1.789773 -1.716595 1.871540
H 5.461283 1.533364 0.141691
H 5.072952 0.442223 1.463898
H 4.812221 -2.173645 0.871399
H 5.146688 -2.685070 -0.784291
H 5.589623 -0.320026 -1.492750
H -5.123215 0.803719 1.808606
H 7.306870 -1.425064 -0.286305
H -6.937023 -1.204041 1.635363


%chk=000249706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249706

0 1
O -4.504534 -1.478099 -0.533094
O 6.996155 -0.631759 -0.195623
N -5.788407 -2.012592 -0.040218
C -1.809630 0.067093 0.088481
C -0.861528 1.229099 -0.337588
C 0.578604 1.087341 0.188954
C 1.175076 -0.279077 -0.282297
C 2.629608 -0.519963 0.277971
C -3.145796 0.580313 -0.573458
C -1.240254 -1.242816 -0.503110
C 0.215212 -1.476703 -0.015017
C -1.660566 2.516726 -0.015068
C -3.155286 2.120338 -0.276939
C 1.464799 2.249650 -0.318274
C 3.483065 0.756303 0.117123
C -1.992778 -0.047210 1.624326
C 3.299068 -1.664899 -0.561124
C 2.944093 1.973299 -0.165234
C 2.605889 -0.922460 1.785877
C 4.989581 0.605198 0.300879
C -4.399690 -0.125685 -0.159413
C 4.809834 -1.846022 -0.288350
C 5.567687 -0.533426 -0.556011
C -5.545428 0.230731 0.538908
C -6.354314 -0.955692 0.581917
H -0.788648 1.164934 -1.449540
H 0.570712 1.119715 1.298307
H 1.281684 -0.190130 -1.389020
H -3.026377 0.431619 -1.667690
H -1.253885 -1.172257 -1.611211
H -1.871367 -2.109904 -0.231902
H 0.192790 -1.705494 1.066661
H 0.609253 -2.383263 -0.512564
H -1.345037 3.372205 -0.637768
H -1.512744 2.812771 1.040852
H -3.776105 2.346883 0.608345
H -3.589644 2.677617 -1.125440
H 1.204957 3.185370 0.217187
H 1.233924 2.447540 -1.389712
H -1.035673 -0.229889 2.140330
H -2.433680 0.867952 2.058679
H -2.667200 -0.889300 1.865086
H 3.154967 -1.436840 -1.638157
H 2.778099 -2.620776 -0.364018
H 3.621006 2.832005 -0.289712
H 3.619750 -0.914211 2.221284
H 1.992597 -0.216521 2.374149
H 2.196186 -1.939196 1.926902
H 5.504253 1.550926 0.054464
H 5.241918 0.370056 1.355153
H 4.990062 -2.148822 0.761144
H 5.207292 -2.657651 -0.932380
H 5.468079 -0.272916 -1.634464
H -5.789020 1.202455 0.959029
H 7.402252 -1.378361 -0.705635
H -7.334261 -1.091102 1.040318


