%chk=000237697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237697

0 1
O 0.967409 0.129321 -0.056716
O 2.908474 2.533929 0.123039
O 3.764577 -2.454877 0.950453
O 0.386238 -0.128288 -2.220327
N 4.197499 -1.161575 0.527302
N -5.258320 -0.246026 0.942193
C 2.387130 0.179921 -0.442251
C 3.105293 -0.198498 0.861037
C 2.724691 1.591776 -0.945614
C 0.033533 -0.050550 -1.062035
C -1.324822 -0.113885 -0.510734
C -2.407523 -0.212334 -1.408111
C -1.566770 -0.085388 0.875420
C -3.948658 -0.246729 0.460732
C -3.709862 -0.280961 -0.936934
C -2.862241 -0.153736 1.367331
C 1.679172 2.994659 0.722087
H 2.544517 -0.567683 -1.256034
H 2.366202 -0.629150 1.579272
H 3.515249 0.720002 1.344638
H 1.963832 1.952914 -1.660261
H 3.723865 1.602439 -1.427079
H 5.004292 -1.002480 1.147670
H -2.205565 -0.236617 -2.484431
H -0.718333 -0.012643 1.563070
H -4.539642 -0.350580 -1.634516
H -3.041751 -0.127318 2.438070
H 1.080058 2.147239 1.074537
H 1.117411 3.598829 0.004073
H 2.033623 3.608442 1.557136
H 3.516279 -2.912492 0.088720
H -5.425847 -0.423118 1.918259
H -6.010410 -0.509142 0.327802


%chk=000237697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237697

0 1
O 0.922794 0.023266 0.142042
O 2.864360 2.423407 0.255056
O 4.450268 -2.269869 0.067255
O 0.324857 -0.305620 -2.094747
N 4.518148 -0.848890 0.571038
N -5.451148 -0.123329 0.903492
C 2.359710 0.004448 -0.264518
C 3.139571 -0.460134 0.973614
C 2.814101 1.384781 -0.776464
C -0.018839 -0.154130 -0.891742
C -1.408374 -0.139436 -0.388446
C -2.470265 -0.272860 -1.325257
C -1.726760 -0.000894 0.990766
C -4.127405 -0.128163 0.479896
C -3.807043 -0.267147 -0.905988
C -3.061341 0.004816 1.421961
C 1.567180 3.038266 0.558683
H 2.471500 -0.727176 -1.088045
H 2.598746 -1.294334 1.463999
H 3.235857 0.383909 1.683359
H 2.175895 1.699984 -1.627112
H 3.858513 1.279575 -1.119159
H 5.112509 -0.931345 1.415507
H -2.217238 -0.382107 -2.385213
H -0.913665 0.094561 1.716075
H -4.614411 -0.370782 -1.640906
H -3.292781 0.109011 2.488929
H 0.904435 2.349734 1.116375
H 1.049455 3.355645 -0.371205
H 1.791598 3.925555 1.173071
H 4.845887 -2.196481 -0.839988
H -5.684142 -0.026958 1.887841
H -6.212373 -0.221901 0.237629


