%chk=000290316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290316

0 1
O 1.026596 -0.673342 -0.338298
O 5.580634 -1.406073 -0.298815
O -2.786776 0.341022 0.237469
O 4.321692 2.340368 -1.015569
N 3.341941 -0.801261 -0.547963
N 2.053356 2.044841 -1.037269
C 2.339359 -2.119530 1.153785
C 3.857902 -2.337064 1.196346
C 3.523628 0.151408 -1.655696
C 2.087447 -1.127699 0.031227
C 4.444350 -1.498428 0.073231
C 1.080619 3.417959 0.819500
C 1.760434 3.418527 -0.560997
C 3.362297 1.608196 -1.180249
C -0.394152 3.132042 0.720293
C -0.835010 1.811958 0.534917
C -1.320353 4.178603 0.804912
C -2.208704 1.573529 0.426971
C -2.693952 3.911182 0.706606
C -3.157464 2.614934 0.516072
C -1.897183 -0.799802 0.016077
C -2.805275 -1.984307 -0.157014
C -4.071022 -2.014066 0.443970
C -2.361046 -3.080400 -0.912277
C -4.888537 -3.137166 0.290995
C -3.180949 -4.202539 -1.055646
C -4.444196 -4.233246 -0.455057
H 1.943761 -1.726216 2.111998
H 1.784193 -3.061349 0.969924
H 4.299411 -2.033239 2.167590
H 4.136258 -3.402025 1.066060
H 4.564534 0.039448 -2.063210
H 2.818656 -0.081115 -2.485891
H 1.572323 2.683787 1.491179
H 1.255672 4.401479 1.304337
H 1.108784 3.917830 -1.314683
H 2.714006 4.000536 -0.514236
H 1.262721 1.392923 -1.067464
H -0.115659 0.998397 0.479939
H -0.983037 5.201095 0.946081
H -3.406857 4.733544 0.777586
H -4.215818 2.386794 0.430384
H -1.279743 -0.592026 -0.879714
H -1.240447 -0.913307 0.899367
H -4.413400 -1.150697 1.017784
H -1.384323 -3.057224 -1.390809
H -5.873821 -3.156577 0.754105
H -2.837237 -5.053434 -1.641100
H -5.081309 -5.107572 -0.571550


%chk=000290316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290316

0 1
O 1.081740 -1.457209 0.415640
O 5.207739 -1.162460 -1.772659
O -2.864361 0.565011 0.003909
O 3.539928 1.313942 0.558362
N 3.052845 -1.066382 -0.811790
N 1.995418 2.457823 -0.761731
C 3.100360 -2.920463 0.674584
C 4.470785 -2.817151 -0.039126
C 2.635206 0.180357 -1.440102
C 2.266229 -1.761965 0.124014
C 4.355205 -1.612479 -0.976599
C 0.957825 3.599836 1.240560
C 1.986623 3.673021 0.071741
C 2.761080 1.359485 -0.438336
C -0.465807 3.376324 0.752224
C -0.972203 2.053883 0.647443
C -1.275838 4.465327 0.346575
C -2.278913 1.830287 0.143959
C -2.578158 4.232479 -0.158356
C -3.084939 2.923176 -0.263759
C -2.089730 -0.594888 0.480687
C -2.891684 -1.859713 0.242078
C -4.280404 -1.831961 -0.027847
C -2.223514 -3.108417 0.324762
C -4.993165 -3.039635 -0.210834
C -2.938479 -4.313276 0.148139
C -4.327530 -4.283343 -0.120750
H 3.174990 -2.809612 1.769756
H 2.577496 -3.872375 0.479192
H 5.306868 -2.638551 0.658029
H 4.725854 -3.713443 -0.629531
H 3.315039 0.359395 -2.293628
H 1.598799 0.079626 -1.808604
H 1.271792 2.786704 1.919477
H 1.030091 4.548842 1.805492
H 1.760536 4.535803 -0.580338
H 3.001273 3.797177 0.487221
H 1.282502 2.373625 -1.489141
H -0.342651 1.218671 0.970811
H -0.896026 5.490169 0.435795
H -3.205110 5.077422 -0.464619
H -4.090767 2.724131 -0.645955
H -1.115129 -0.650251 -0.039775
H -1.881284 -0.464553 1.564377
H -4.787314 -0.865836 -0.101959
H -1.144831 -3.127880 0.525526
H -6.068070 -3.008511 -0.423278
H -2.413802 -5.273421 0.214877
H -4.882211 -5.218043 -0.261313


