%chk=000229605.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229605

0 1
O -0.486565 1.798237 0.197238
N 0.188522 -0.332061 -0.331644
C -2.248257 0.245571 -0.480850
C -2.651207 -0.957022 0.432106
C -2.307295 -0.148382 -1.964560
C -3.136610 1.471486 -0.238452
C -0.788005 0.677704 -0.160950
C -4.119587 -1.351991 0.239056
C -2.373447 -0.658749 1.909211
C 1.597509 -0.197065 -0.122865
C 2.394871 -1.341514 -0.344229
C 2.190949 1.010589 0.284793
C 3.774616 -1.261920 -0.154925
C 3.572905 1.065688 0.467579
C 4.369878 -0.063178 0.250461
H -2.025710 -1.836756 0.132996
H -3.345757 -0.293051 -2.289388
H -1.884200 0.637627 -2.603832
H -1.771091 -1.076314 -2.183003
H -4.176565 1.281421 -0.518914
H -2.784524 2.338923 -0.813678
H -3.118707 1.776087 0.816582
H -4.358093 -2.259327 0.806015
H -4.801273 -0.567271 0.587581
H -4.354453 -1.550567 -0.811857
H -2.687319 -1.492086 2.547785
H -2.912786 0.232545 2.253331
H -1.308687 -0.486123 2.106114
H -0.122377 -1.259017 -0.629738
H 1.948088 -2.279768 -0.659076
H 1.575074 1.899803 0.456992
H 4.391649 -2.143603 -0.325244
H 4.032898 2.002242 0.783514
H 5.445356 -0.008957 0.395851


%chk=000229605-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229605

0 1
O -0.531037 1.866954 0.385949
N 0.198882 -0.218313 -0.380927
C -2.240437 0.271433 -0.466381
C -2.639169 -0.905006 0.518210
C -2.285706 -0.216566 -1.946737
C -3.172924 1.497747 -0.317364
C -0.790154 0.732150 -0.113919
C -4.051328 -1.477600 0.242917
C -2.510213 -0.504400 2.008209
C 1.604733 -0.144426 -0.159307
C 2.382103 -1.272895 -0.540792
C 2.245574 0.985784 0.417251
C 3.778046 -1.275963 -0.348975
C 3.645271 0.965724 0.602702
C 4.420926 -0.154430 0.225807
H -1.916902 -1.731868 0.334578
H -3.332163 -0.309262 -2.285783
H -1.782097 0.504362 -2.615702
H -1.810791 -1.207582 -2.089556
H -4.219730 1.214620 -0.525401
H -2.880178 2.289614 -1.028809
H -3.108416 1.936352 0.690707
H -4.238305 -2.341996 0.906824
H -4.837752 -0.729230 0.449494
H -4.170707 -1.825545 -0.798459
H -2.693858 -1.381646 2.655657
H -3.250672 0.270422 2.277738
H -1.507258 -0.108387 2.247524
H -0.123832 -1.091894 -0.803057
H 1.891751 -2.147889 -0.988278
H 1.645732 1.850574 0.704501
H 4.362434 -2.153122 -0.648437
H 4.132190 1.840688 1.048162
H 5.505785 -0.155203 0.375654


