%chk=000216413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216413

0 1
O 3.386543 -1.974795 -1.053729
N 2.879803 0.220850 -0.678893
N 4.799029 0.492664 2.563463
C -3.427272 0.785396 0.689299
C -2.185052 0.294931 -0.062835
C -2.961376 1.305025 2.064120
C -4.424298 -0.376084 0.874330
C -4.150066 1.917930 -0.064288
C 0.140707 -0.636442 -1.386134
C -1.607268 -0.935948 0.282564
C -1.578621 1.058801 -1.065276
C -0.461063 -1.408671 -0.367202
C -0.428217 0.605116 -1.729136
C 1.368256 -1.148855 -2.080657
C 0.101785 -2.736080 0.028858
C 0.157858 1.465813 -2.805533
C 2.617980 -1.040267 -1.220413
C 4.028909 0.423888 0.231196
C 3.639432 0.132992 1.697618
H -3.805359 1.668791 2.658480
H -2.463814 0.520531 2.643859
H -2.250975 2.131717 1.956819
H -4.010975 -1.176051 1.497697
H -5.346188 -0.035079 1.356259
H -4.698349 -0.818886 -0.089561
H -5.053947 2.231260 0.469210
H -3.517976 2.805549 -0.172487
H -4.456708 1.598280 -1.066244
H -2.059192 -1.539757 1.068679
H -1.997654 2.023865 -1.345246
H 1.234030 -2.220035 -2.360987
H 1.546726 -0.638271 -3.049933
H 1.183026 -2.686059 0.234358
H -0.373558 -3.148786 0.927379
H -0.031513 -3.476925 -0.773881
H 1.247604 1.567585 -2.718005
H -0.054394 1.042742 -3.799202
H -0.256106 2.483217 -2.801436
H 2.159113 0.937817 -0.667300
H 4.390149 1.471659 0.128466
H 4.865807 -0.244722 -0.083106
H 3.316522 -0.926692 1.795446
H 2.771504 0.761098 1.995626
H 5.572551 -0.147926 2.406519
H 4.543306 0.412213 3.543040


%chk=000216413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216413

0 1
O 3.833514 -1.194831 -1.745466
N 2.625266 0.124189 -0.255409
N 5.404559 0.357331 2.304778
C -3.578059 0.858653 0.594194
C -2.287196 0.337485 -0.082255
C -3.298672 1.128971 2.103897
C -4.698366 -0.217664 0.464048
C -4.094073 2.173247 -0.045397
C 0.109728 -0.701218 -1.292110
C -1.679666 -0.857534 0.384196
C -1.661055 1.000850 -1.163931
C -0.503727 -1.385148 -0.196199
C -0.480924 0.504588 -1.773831
C 1.381624 -1.243334 -1.922694
C 0.089285 -2.672356 0.356714
C 0.134729 1.272408 -2.933693
C 2.721253 -0.774818 -1.299414
C 3.810322 0.644719 0.441865
C 4.189384 -0.199726 1.684120
H -4.218777 1.483920 2.605491
H -2.958704 0.216896 2.626311
H -2.517179 1.901215 2.227307
H -4.403657 -1.173146 0.933351
H -5.624205 0.132616 0.958242
H -4.927109 -0.419135 -0.598524
H -5.014757 2.498938 0.472510
H -3.353815 2.990023 0.042195
H -4.340567 2.039103 -1.114887
H -2.129884 -1.403345 1.222522
H -2.090765 1.927915 -1.556508
H 1.409311 -2.346878 -1.887881
H 1.444184 -0.977774 -2.992899
H 1.148459 -2.546924 0.651633
H -0.470585 -3.012747 1.244195
H 0.059704 -3.490387 -0.388888
H 1.199298 1.511931 -2.752372
H 0.092145 0.693196 -3.876541
H -0.399342 2.222220 -3.105563
H 1.690472 0.397965 0.058303
H 3.636305 1.689468 0.754121
H 4.649075 0.628828 -0.277532
H 4.279452 -1.263384 1.362745
H 3.367506 -0.147914 2.423474
H 6.250821 0.247972 1.737844
H 5.555387 0.087014 3.279738


