%chk=000291290.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291290

0 1
I 6.498475 2.463150 -0.407097
O -2.342344 1.891998 -0.182737
O -1.064926 -3.294216 2.091151
O -3.996042 0.263099 -0.369985
O -0.020988 -1.433265 1.156345
O -0.121241 1.399457 -2.989719
N -0.382952 0.202502 -1.018393
C -1.758645 -0.174755 -1.325719
C -2.022264 -1.698042 -1.163872
C -2.209114 -2.251457 0.270988
C -2.818832 0.653392 -0.569988
C -0.987621 -2.257804 1.172590
C 0.357600 0.976964 -1.886232
C 1.776401 1.289251 -1.475923
C -3.319432 2.811795 0.486275
C 2.533198 2.106225 -2.352660
C 2.385062 0.811580 -0.285625
C 0.042930 -3.410660 3.098176
C -3.356502 2.553572 1.994534
C 3.869629 2.447461 -2.059901
C 3.722868 1.145049 0.021547
C 4.454293 1.960659 -0.869559
C 1.187044 -4.260329 2.541132
H -1.902187 0.087723 -2.396612
H -2.960007 -1.925943 -1.701030
H -1.208334 -2.234271 -1.685517
H -2.589748 -3.286434 0.220869
H -3.004199 -1.670477 0.780625
H -0.003666 -0.178521 -0.141696
H -4.311799 2.663938 0.025360
H -2.929358 3.812839 0.244755
H 2.047226 2.461957 -3.266989
H 1.844372 0.172707 0.421350
H 0.382729 -2.394536 3.363196
H -0.448550 -3.887896 3.960470
H -3.763375 1.551663 2.211660
H -2.346947 2.635765 2.432567
H -4.007065 3.302353 2.483312
H 4.441121 3.077835 -2.746844
H 4.183438 0.771717 0.940528
H 0.823118 -5.251694 2.221361
H 1.669706 -3.761960 1.683754
H 1.951527 -4.411193 3.325651


%chk=000291290-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291290

0 1
I 6.494630 2.484927 -0.410677
O -2.344125 1.899819 -0.192204
O -1.066202 -3.319207 2.086869
O -3.993355 0.262975 -0.360716
O -0.034291 -1.445014 1.195842
O -0.117969 1.388192 -2.999174
N -0.382239 0.208249 -1.015756
C -1.756579 -0.172249 -1.322942
C -2.022478 -1.696230 -1.157741
C -2.206157 -2.257862 0.276722
C -2.817589 0.656784 -0.569038
C -0.990584 -2.269480 1.187579
C 0.358823 0.975958 -1.889259
C 1.776529 1.293840 -1.478644
C -3.321005 2.819752 0.476842
C 2.533984 2.103909 -2.361130
C 2.383340 0.827887 -0.282795
C 0.035081 -3.443384 3.100618
C -3.345184 2.573176 1.987330
C 3.869325 2.449896 -2.068693
C 3.720077 1.166307 0.024131
C 4.452151 1.974904 -0.872779
C 1.188264 -4.278381 2.540238
H -1.898379 0.087427 -2.394746
H -2.963504 -1.920526 -1.690662
H -1.211474 -2.232894 -1.683273
H -2.583470 -3.293595 0.219469
H -3.003310 -1.680097 0.786756
H -0.005393 -0.164436 -0.133660
H -4.316062 2.663024 0.024728
H -2.938099 3.820905 0.224557
H 2.049406 2.450578 -3.279693
H 1.842079 0.194644 0.428605
H 0.366621 -2.429101 3.382621
H -0.460168 -3.935750 3.952178
H -3.746020 1.571270 2.215489
H -2.332548 2.662995 2.416649
H -3.995042 3.323023 2.475421
H 4.441308 3.074875 -2.760151
H 4.179286 0.802148 0.947491
H 0.833184 -5.268175 2.206039
H 1.672809 -3.766242 1.692081
H 1.948929 -4.433646 3.327575


