%chk=000253458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253458

0 1
O 4.452411 0.947900 -1.709348
O 3.070157 -3.754326 -0.418768
O 6.099662 1.825562 -0.428606
O 2.919840 1.157822 2.743397
O 1.991014 -1.801872 -0.781718
N 2.994390 0.528901 0.559616
N -3.363832 1.627816 1.491620
N -5.387464 1.382448 0.576823
N -4.066158 1.185135 0.522241
C 4.449129 0.329314 0.603323
C 4.867048 -1.153441 0.525275
C 4.442630 -1.884121 -0.750421
C 5.117312 1.132986 -0.522154
C 2.301944 0.915697 1.716425
C 3.034867 -2.405981 -0.654289
C 0.823246 1.053829 1.580358
C 4.926978 1.674239 -2.889609
C 0.050931 0.181289 0.802853
C 0.203701 2.089891 2.302300
C -1.332055 0.347171 0.729103
C -1.174380 2.268086 2.233783
C -1.947597 1.393763 1.440803
C 1.800229 -4.466808 -0.249306
C 6.157717 0.996556 -3.453284
C 1.256655 -4.217593 1.140764
C -6.153680 0.871548 -0.537263
C -7.461998 0.403602 -0.313648
C -5.599738 0.854144 -1.831630
C -6.086287 2.045885 1.709557
C -8.212067 -0.064978 -1.394438
C -6.364942 0.373213 -2.894768
C -7.670809 -0.081892 -2.683347
H 4.840393 0.757718 1.584480
H 5.972566 -1.213587 0.625606
H 4.466347 -1.678427 1.420436
H 4.507578 -1.203057 -1.636358
H 5.144629 -2.722976 -0.953954
H 2.514513 0.232611 -0.298473
H 5.113839 2.724143 -2.600866
H 4.041811 1.597851 -3.547431
H 0.522207 -0.640695 0.250658
H 0.815811 2.749567 2.924367
H -1.931312 -0.331543 0.122658
H -1.661465 3.069113 2.790358
H 2.127206 -5.510312 -0.411339
H 1.107112 -4.141267 -1.045033
H 6.468107 1.456823 -4.399617
H 5.988346 -0.069962 -3.641758
H 7.007774 1.077650 -2.757841
H 0.390103 -4.855603 1.353574
H 0.932850 -3.173493 1.265657
H 2.011981 -4.415268 1.912959
H -7.889422 0.388646 0.686360
H -4.582749 1.208654 -2.003250
H -5.452366 2.848339 2.137093
H -7.027831 2.505727 1.373182
H -6.292900 1.325840 2.519483
H -9.226993 -0.425573 -1.226365
H -5.939223 0.356869 -3.898418
H -8.262163 -0.450072 -3.519111


%chk=000253458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253458

0 1
O 4.577271 1.722092 -0.983697
O 3.378281 -4.106685 -0.760199
O 6.346492 0.227011 -0.736721
O 3.079453 2.170425 2.254108
O 2.391189 -2.023395 -0.518355
N 3.022620 0.364654 0.795319
N -3.293759 2.206258 1.144397
N -5.359527 1.657510 0.413376
N -4.013014 1.369150 0.436793
C 4.464765 0.158222 0.872523
C 4.867655 -1.305395 1.208137
C 4.786478 -2.366687 0.078862
C 5.231436 0.673502 -0.363460
C 2.411240 1.381871 1.503722
C 3.403851 -2.767594 -0.402169
C 0.918210 1.510885 1.355155
C 5.268927 2.353481 -2.153503
C 0.108507 0.605487 0.611617
C 0.295494 2.606667 2.006021
C -1.280519 0.794140 0.516274
C -1.092848 2.802741 1.913651
C -1.898224 1.901764 1.166589
C 2.089786 -4.648478 -1.307582
C 4.913210 1.617936 -3.448129
C 1.190317 -5.141637 -0.171851
C -6.179453 0.772017 -0.348934
C -7.582430 0.991543 -0.414600
C -5.614943 -0.332344 -1.048695
C -5.933009 2.813432 1.131145
C -8.401313 0.120584 -1.165876
C -6.445936 -1.190787 -1.792514
C -7.844057 -0.975370 -1.859726
H 4.800887 0.808938 1.710090
H 5.925376 -1.285482 1.525977
H 4.268094 -1.622027 2.081110
H 5.355228 -1.995082 -0.797122
H 5.302463 -3.286850 0.402332
H 2.502363 -0.300685 0.209473
H 6.357130 2.341511 -1.966703
H 4.888926 3.387021 -2.144512
H 0.547235 -0.261337 0.104462
H 0.932580 3.288026 2.578636
H -1.899338 0.095698 -0.054294
H -1.581897 3.647119 2.410004
H 2.418465 -5.469031 -1.964594
H 1.599684 -3.855331 -1.898403
H 5.352781 2.151165 -4.311492
H 3.819412 1.576595 -3.588176
H 5.313804 0.590325 -3.438657
H 0.287629 -5.619687 -0.595255
H 0.866416 -4.304056 0.468398
H 1.714090 -5.887076 0.450683
H -8.043021 1.831220 0.112745
H -4.537529 -0.498556 -0.999032
H -5.097784 3.332267 1.624071
H -6.431779 3.499199 0.423450
H -6.660843 2.475955 1.890491
H -9.480729 0.304890 -1.205088
H -5.997168 -2.036228 -2.326284
H -8.483023 -1.647999 -2.441285


