%chk=000187761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187761

0 1
O -3.359528 0.791293 0.772274
N 4.007732 0.784307 0.404719
C 1.317620 -0.800156 0.653894
C 2.392234 -0.731954 -0.449043
C 2.674171 0.805307 -0.265619
C 2.110402 -0.337874 1.945236
C 0.775728 -2.230733 0.816451
C 1.938611 -1.311539 -1.794649
C 0.212987 0.184738 0.157820
C 1.885448 1.528297 -1.350389
C 3.624943 0.085489 1.732088
C 0.333005 -2.818997 -0.532766
C 1.455753 -2.756496 -1.580017
C 0.456822 1.181779 -0.861928
C -1.073116 0.063365 0.669898
C 4.574282 2.142545 0.619987
C -0.601050 1.938656 -1.356160
C -2.117668 0.857436 0.157737
C -1.904411 1.781706 -0.862263
C -4.365565 -0.146418 0.244296
C -3.840710 -1.576815 0.355943
C -5.523018 0.125919 1.206217
C -4.707623 0.225429 -1.197033
H 3.295359 -1.336672 -0.181089
H 2.077333 1.320458 0.600453
H 2.111889 -1.153065 2.686766
H 1.565915 0.498664 2.415642
H -0.063981 -2.253129 1.534757
H 1.567647 -2.871951 1.250901
H 2.780007 -1.286913 -2.511145
H 1.122767 -0.728073 -2.258952
H 2.076298 1.181067 -2.377006
H 2.049459 2.618411 -1.355347
H 3.925181 0.701326 2.597996
H 4.249916 -0.830651 1.742192
H -0.551292 -2.265223 -0.905669
H 0.007369 -3.865977 -0.392862
H 2.302139 -3.394739 -1.262628
H 1.098715 -3.176514 -2.538244
H -1.295397 -0.637343 1.473417
H 5.530647 2.048766 1.158762
H 3.930469 2.842980 1.171449
H 4.797928 2.583642 -0.365672
H -0.420874 2.680001 -2.134668
H -2.723390 2.385667 -1.240723
H -2.980609 -1.747725 -0.302492
H -4.611051 -2.307114 0.089086
H -3.512729 -1.796928 1.378843
H -5.828500 1.179411 1.164064
H -5.224671 -0.067967 2.244506
H -6.392952 -0.494432 0.975896
H -4.978648 1.285271 -1.275960
H -5.551356 -0.362058 -1.572462
H -3.861438 0.057726 -1.873899


%chk=000187761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187761

0 1
O -3.391781 0.841967 0.805678
N 4.073261 0.843864 0.354411
C 1.358944 -0.824247 0.655241
C 2.416613 -0.757287 -0.460898
C 2.734270 0.764870 -0.304374
C 2.208810 -0.330108 1.939216
C 0.813064 -2.264984 0.837987
C 1.971707 -1.369311 -1.806863
C 0.251357 0.191690 0.142800
C 1.960333 1.523951 -1.388047
C 3.757010 0.024135 1.642135
C 0.376527 -2.897427 -0.508077
C 1.512194 -2.831421 -1.561799
C 0.506225 1.188353 -0.894277
C -1.063162 0.094764 0.652972
C 4.452708 2.242922 0.669667
C -0.567636 1.981083 -1.355160
C -2.123487 0.904210 0.175812
C -1.877829 1.849618 -0.842873
C -4.445131 -0.106468 0.259390
C -3.946050 -1.563371 0.359974
C -5.631490 0.150016 1.202918
C -4.788852 0.268239 -1.197288
H 3.311471 -1.333272 -0.167251
H 2.109845 1.145596 0.532296
H 2.238357 -1.151919 2.682670
H 1.700905 0.517484 2.436278
H -0.014388 -2.303481 1.573244
H 1.633986 -2.878310 1.264810
H 2.813314 -1.348433 -2.526570
H 1.134468 -0.813600 -2.266363
H 2.142878 1.191319 -2.426145
H 2.099743 2.621254 -1.349561
H 4.150851 0.584739 2.512425
H 4.322305 -0.922695 1.584214
H -0.512876 -2.363447 -0.898308
H 0.072856 -3.949744 -0.343183
H 2.373180 -3.435804 -1.206390
H 1.172688 -3.285815 -2.512771
H -1.290404 -0.617904 1.452523
H 5.373983 2.251842 1.278033
H 3.660997 2.812866 1.221440
H 4.665039 2.778047 -0.273102
H -0.367036 2.744114 -2.117638
H -2.690411 2.494344 -1.192081
H -3.055360 -1.727414 -0.272675
H -4.736903 -2.258348 0.022720
H -3.686986 -1.811693 1.404392
H -5.940362 1.208153 1.148143
H -5.344583 -0.071022 2.245438
H -6.491279 -0.486806 0.927208
H -5.123664 1.318786 -1.256992
H -5.604129 -0.378428 -1.570709
H -3.916894 0.136734 -1.862032


