%chk=000233989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233989

0 1
O -2.221600 1.986182 -0.235261
O -1.249824 -2.312664 -0.344688
O -1.733750 0.721128 -2.053464
O -2.878589 -1.332801 0.889292
O 1.047333 1.931352 -0.716398
O 0.693696 -0.802756 2.380547
N -0.850049 0.638268 1.484949
C -0.927510 0.005171 0.157321
C 0.450702 -0.365923 -0.405489
C -1.649840 0.923625 -0.869239
C -1.828858 -1.262904 0.302332
C 1.418481 0.795024 -0.517500
C 2.866992 0.441690 -0.415468
C -0.031109 0.167547 2.524487
C -2.918489 2.986699 -1.058367
C -1.962123 -3.598288 -0.348023
C 3.766009 1.010967 -1.329802
C 3.334231 -0.413723 0.591569
C -0.134920 0.961658 3.792615
C 5.126500 0.703863 -1.250394
C 4.697422 -0.709712 0.672768
C -4.278031 2.458437 -1.455185
C -3.093301 -3.550028 -1.350530
C 5.591758 -0.156541 -0.249828
H 0.331017 -0.829862 -1.415824
H 0.880930 -1.190076 0.222900
H -1.460944 1.450794 1.625992
H -2.275674 3.228322 -1.923956
H -2.960095 3.832056 -0.347364
H -2.304087 -3.809715 0.680382
H -1.140933 -4.278373 -0.640865
H 3.397567 1.695842 -2.095759
H 2.634984 -0.840843 1.321984
H -1.148819 0.942489 4.217593
H 0.540554 0.539748 4.556234
H 0.152879 2.013858 3.655486
H 5.824321 1.138861 -1.963814
H 5.061497 -1.372105 1.456774
H -4.894533 3.240539 -1.914604
H -4.828723 2.063296 -0.590588
H -4.191668 1.637040 -2.183394
H -3.905655 -2.891272 -1.008120
H -3.524519 -4.544141 -1.518545
H -2.755576 -3.164034 -2.322498
H 6.653344 -0.393298 -0.187260


%chk=000233989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233989

0 1
O -2.073577 1.921496 -0.329544
O -1.333144 -2.357355 -0.157769
O -1.314397 0.461747 -1.985681
O -2.869468 -1.192542 1.152993
O 1.063674 1.851783 -0.446380
O -0.181909 -1.072319 2.918524
N -0.825881 0.738657 1.625873
C -0.806183 -0.034433 0.380416
C 0.624723 -0.495511 0.008041
C -1.391389 0.805688 -0.787577
C -1.785667 -1.250484 0.537528
C 1.541132 0.683780 -0.301874
C 3.009524 0.431758 -0.460417
C -0.535333 0.149226 2.838684
C -2.695822 2.796994 -1.374740
C -2.236462 -3.554622 -0.156437
C 3.853533 1.531217 -0.778681
C 3.582142 -0.860521 -0.307788
C -0.677890 1.041830 4.062775
C 5.239792 1.344855 -0.938154
C 4.971438 -1.046325 -0.469959
C -4.086557 2.281172 -1.749645
C -3.305584 -3.423362 -1.243819
C 5.802906 0.054149 -0.783621
H 0.574264 -1.155945 -0.876435
H 1.008509 -1.100557 0.847979
H -1.172835 1.697496 1.561423
H -2.018458 2.821703 -2.245720
H -2.731244 3.786074 -0.891398
H -2.683139 -3.647356 0.848679
H -1.546616 -4.391758 -0.346699
H 3.392824 2.517883 -0.894527
H 2.951322 -1.720644 -0.061699
H -1.557362 0.713104 4.644797
H 0.209140 0.919206 4.705870
H -0.798920 2.109079 3.810771
H 5.883203 2.197257 -1.181792
H 5.406294 -2.044398 -0.349758
H -4.564265 2.986695 -2.454706
H -4.729308 2.193831 -0.857125
H -4.019567 1.296143 -2.240362
H -3.991967 -2.590231 -1.019369
H -3.898692 -4.355405 -1.294155
H -2.843725 -3.251460 -2.231037
H 6.881936 -0.092199 -0.906489


