%chk=000236279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236279

0 1
O -3.332861 1.333042 -0.044593
O -1.175971 -2.728720 -0.004808
N -1.031691 1.383710 -0.026160
N -2.246442 -0.714540 -0.014485
N 1.362466 1.407454 -0.009361
N 1.375474 -1.424182 0.008049
C 0.177599 0.687277 -0.012952
C 0.195240 -0.733280 -0.003875
C -2.295810 0.699573 -0.027774
C -1.051715 -1.529670 -0.006086
C 2.516988 0.718601 0.002378
C 2.521186 -0.733375 0.011117
C -1.037759 2.870715 -0.038224
C -3.563407 -1.413006 0.008814
C 3.782145 1.501271 0.006227
C 3.799595 -1.501695 0.023924
H -2.079107 3.246717 -0.047128
H -0.512814 3.248567 -0.933459
H -0.522658 3.263177 0.856435
H -4.314637 -0.845653 -0.569171
H -3.923337 -1.517606 1.046302
H -3.459360 -2.423468 -0.429742
H 4.398882 1.269821 -0.876241
H 3.599579 2.590253 -0.002045
H 4.386348 1.281226 0.900218
H 4.409581 -1.284801 -0.864051
H 4.397553 -1.275067 0.917640
H 3.615532 -2.591541 0.028652


%chk=000236279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236279

0 1
O -3.377270 1.343123 -0.001815
O -1.165975 -2.785370 -0.048745
N -1.032132 1.370433 0.006691
N -2.252146 -0.704796 -0.026169
N 1.331413 1.392568 0.014577
N 1.371265 -1.443714 -0.018179
C 0.172463 0.664927 0.001914
C 0.190357 -0.760680 -0.015629
C -2.285493 0.710799 -0.006647
C -1.080455 -1.530676 -0.031635
C 2.508462 0.707795 0.010976
C 2.531722 -0.732946 -0.004601
C -1.018318 2.851251 0.026341
C -3.575875 -1.372684 -0.041607
C 3.778501 1.520936 0.023637
C 3.825055 -1.511696 -0.006489
H -2.064586 3.187803 0.026818
H -0.489020 3.236046 -0.860032
H -0.495812 3.212357 0.926609
H -4.146308 -1.057421 -0.930151
H -4.150248 -1.092189 0.856128
H -3.394904 -2.456648 -0.061773
H 4.401875 1.303799 -0.864257
H 3.532705 2.593380 0.033785
H 4.396293 1.285841 0.910867
H 4.445610 -1.270811 -0.890525
H 4.437280 -1.288679 0.887974
H 3.596142 -2.587950 -0.018464


