%chk=000228942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228942

0 1
O 0.273447 -3.189631 -0.198513
O -0.364382 -2.840954 1.910392
O 5.853611 0.182667 -0.178964
N 2.570634 -1.532017 0.090746
N -2.175694 1.256110 -0.279589
C 0.281666 -2.173379 0.830462
C 1.737766 -1.891465 1.279771
C 2.553384 -2.656565 -0.901394
C -0.581692 -0.984077 0.432363
C 1.101631 -2.884452 -1.342262
C 3.968641 -1.185432 0.496206
C -1.963969 -1.175443 0.088246
C -0.048984 0.280490 0.383786
C 4.510271 -0.170825 -0.529069
C -2.727984 -0.019487 -0.250495
C -0.882802 1.394142 0.014142
C -2.614961 -2.447862 0.058597
C -4.116336 -0.147979 -0.586726
C -0.297684 2.757726 -0.040406
C -3.943468 -2.549039 -0.270249
C -4.703863 -1.386355 -0.592261
C 0.933691 2.965792 -0.682769
C -0.974090 3.839045 0.545016
C 1.486826 4.247554 -0.726925
C -0.411927 5.117860 0.500218
C 0.817765 5.323326 -0.132860
H 1.744058 -1.047682 2.004241
H 2.109603 -2.780964 1.834585
H 2.984513 -3.599628 -0.500939
H 3.171288 -2.363010 -1.777813
H 0.676246 -2.001062 -1.853664
H 0.983258 -3.787481 -1.966849
H 4.652687 -2.059083 0.558518
H 3.974305 -0.725794 1.507601
H 1.000145 0.475932 0.612254
H -0.280932 -3.820356 1.805522
H 3.880513 0.733384 -0.589259
H 4.624325 -0.609068 -1.537914
H -2.026255 -3.336293 0.300069
H -4.671091 0.758386 -0.833904
H -4.438793 -3.518496 -0.290748
H -5.757566 -1.502868 -0.843904
H 5.869396 0.729601 0.630212
H 1.450411 2.132126 -1.156481
H -1.941454 3.677261 1.023457
H 2.438827 4.410335 -1.229014
H -0.937071 5.955839 0.955976
H 1.252390 6.320670 -0.167907


%chk=000228942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228942

0 1
O 0.287837 -3.263817 -0.339204
O -0.365279 -2.982425 1.882157
O 5.986464 0.152151 -0.139555
N 2.573337 -1.522555 0.046953
N -2.191699 1.239340 -0.158917
C 0.272388 -2.284066 0.788525
C 1.744694 -1.990324 1.182583
C 2.540205 -2.511237 -1.060939
C -0.606964 -1.075308 0.447365
C 1.089255 -2.775304 -1.483244
C 3.950175 -1.151291 0.456759
C -2.016469 -1.232655 0.160541
C -0.054501 0.203280 0.382478
C 4.597084 -0.141391 -0.515837
C -2.767408 -0.020431 -0.119833
C -0.862040 1.350043 0.066058
C -2.710853 -2.486296 0.134242
C -4.172554 -0.103850 -0.388152
C -0.266075 2.716117 -0.019777
C -4.079526 -2.536902 -0.142087
C -4.819837 -1.339786 -0.398945
C 1.133332 2.919406 -0.171282
C -1.114830 3.855607 0.034343
C 1.667952 4.223127 -0.256043
C -0.580247 5.157119 -0.044766
C 0.815123 5.348780 -0.187949
H 1.758891 -1.235367 1.988142
H 2.142241 -2.947128 1.612539
H 3.017708 -3.475636 -0.751994
H 3.101141 -2.115080 -1.926296
H 0.633030 -1.853386 -1.893930
H 1.033408 -3.580310 -2.233372
H 4.620270 -2.040643 0.545285
H 3.894375 -0.688282 1.462502
H 1.011877 0.333315 0.565585
H 0.116376 -3.840699 2.018294
H 3.978192 0.779131 -0.564506
H 4.676862 -0.558804 -1.532527
H -2.151280 -3.400534 0.334807
H -4.700992 0.832974 -0.589237
H -4.594093 -3.504090 -0.160997
H -5.893702 -1.398295 -0.608727
H 5.997471 0.621488 0.732693
H 1.810791 2.061828 -0.255358
H -2.191393 3.687841 0.133555
H 2.747688 4.361490 -0.383937
H -1.249146 6.023749 0.004711
H 1.231020 6.360605 -0.251203


