%chk=000273810.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273810

0 1
O 1.194028 2.224258 2.110556
N 2.149631 -2.369322 1.536498
N -2.612311 -1.187614 -1.836618
C 0.421871 1.747712 -0.135734
C -0.087976 0.404459 0.443015
C -0.703885 2.636790 -0.695800
C 1.006874 -0.606970 0.614572
C -1.246848 -0.167619 -0.310964
C -0.144261 3.958027 -1.239702
C 1.139055 2.554652 0.947440
C 0.646950 4.726481 -0.172110
C 1.742636 3.858748 0.459421
C 1.007215 -1.543855 1.646130
C -1.281425 -0.799134 -1.550632
C 2.206041 -0.824802 -0.161611
C -2.598833 -0.157938 0.207652
C 2.903646 -1.934833 0.433589
C -3.435100 -0.803867 -0.763316
C 0.036157 -1.715215 2.762177
C -0.159275 -1.075569 -2.488804
C 2.787673 -0.202915 -1.281762
C -3.183734 0.329543 1.389830
C 4.119961 -2.424554 -0.078406
C -4.820060 -0.965672 -0.572135
C 0.328859 -0.714292 3.880369
C -0.557275 -1.652777 -3.843346
C 3.985690 -0.682215 -1.784600
C -4.547705 0.169380 1.577092
C 4.644975 -1.787099 -1.189752
C -5.357025 -0.471797 0.605536
H 1.149576 1.541033 -0.963705
H -0.463295 0.647895 1.486487
H -1.462102 2.827566 0.088639
H -1.243325 2.093913 -1.497327
H -0.975176 4.587148 -1.612548
H 0.501964 3.760351 -2.116255
H -0.041569 5.084431 0.619655
H 1.099867 5.633886 -0.614455
H 2.223415 4.392688 1.303166
H 2.551056 3.652102 -0.267033
H 2.409092 -3.095462 2.173964
H -2.913266 -1.675551 -2.656540
H -0.997501 -1.560452 2.372776
H 0.045043 -2.750157 3.157940
H 0.413947 -0.132836 -2.641017
H 0.557690 -1.767540 -1.981369
H 2.289200 0.658495 -1.732928
H -2.565655 0.823116 2.137548
H 4.622365 -3.265265 0.387340
H -5.434376 -1.457005 -1.317860
H 1.263498 -0.948650 4.400966
H -0.475931 -0.693463 4.621000
H 0.444723 0.309499 3.480304
H -1.025526 -2.639086 -3.748081
H 0.328960 -1.784582 -4.478467
H -1.244567 -0.993228 -4.385214
H 4.442409 -0.207531 -2.649937
H -5.018908 0.539777 2.484905
H 5.584329 -2.130016 -1.619768
H -6.423588 -0.573367 0.799128


%chk=000273810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273810

0 1
O 1.177507 2.045340 2.194644
N 2.177795 -2.361348 1.242863
N -2.787287 -0.982030 -2.052487
C 0.344400 1.837261 -0.114845
C -0.150581 0.410795 0.281841
C -0.791065 2.858624 -0.459852
C 0.992898 -0.600442 0.387299
C -1.360371 -0.076906 -0.512064
C -0.195521 4.219389 -0.890389
C 1.162148 2.487932 1.013382
C 0.724307 4.819053 0.199601
C 1.829026 3.804861 0.633017
C 1.000663 -1.605207 1.365683
C -1.432106 -0.706926 -1.764590
C 2.232835 -0.742738 -0.371952
C -2.728091 0.035406 -0.020660
C 2.952924 -1.861851 0.195785
C -3.602392 -0.541679 -1.008232
C 0.028712 -1.874357 2.484875
C -0.376732 -1.168999 -2.735939
C 2.842196 -0.074730 -1.475993
C -3.299705 0.561366 1.169440
C 4.202206 -2.306416 -0.284734
C -5.003219 -0.597784 -0.844900
C 0.402378 -1.109376 3.787441
C -0.039922 -2.679605 -2.595520
C 4.091815 -0.509255 -1.959837
C -4.696879 0.503989 1.343634
C 4.771403 -1.615123 -1.372652
C -5.541566 -0.067235 0.346320
H 0.989165 1.789084 -1.011769
H -0.516277 0.539431 1.320341
H -1.449992 2.993575 0.421124
H -1.418460 2.432200 -1.263123
H -1.011904 4.929723 -1.123337
H 0.385721 4.082257 -1.826064
H 0.118669 5.086133 1.088305
H 1.199902 5.750855 -0.160237
H 2.408877 4.187450 1.490112
H 2.519287 3.636641 -0.217528
H 2.426316 -3.145795 1.841809
H -3.108158 -1.440848 -2.902697
H -0.985662 -1.579633 2.162299
H -0.019109 -2.962597 2.692158
H -0.712478 -0.964377 -3.773808
H 0.547475 -0.589995 -2.585677
H 2.358059 0.778033 -1.963601
H -2.666288 1.004739 1.947213
H 4.717538 -3.159125 0.172577
H -5.654397 -1.038830 -1.608441
H 1.375473 -1.452127 4.185088
H -0.363631 -1.271630 4.567847
H 0.488283 -0.027115 3.586985
H 0.355834 -2.886980 -1.586768
H 0.726660 -2.975731 -3.334300
H -0.934124 -3.311280 -2.752099
H 4.551840 0.013631 -2.806143
H -5.146530 0.904622 2.259171
H 5.742878 -1.929126 -1.770073
H -6.624843 -0.095493 0.509359


