%chk=000281562.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281562

0 1
O 6.833956 2.811311 0.004767
O -6.830758 2.820184 0.009727
O 6.384481 3.220899 -2.201745
O -6.378871 3.219556 2.217620
N 0.479156 -4.492508 0.504754
N -0.485465 -4.489214 -0.527901
C 3.220726 -0.549737 -1.183953
C -3.222077 -0.551800 1.181181
C 2.688862 -1.573909 -0.207762
C -2.691389 -1.571478 0.199661
C 3.347612 -1.440080 1.054138
C -3.349704 -1.430053 -1.061641
C 4.254503 0.191424 -0.368557
C -4.254700 0.195068 0.369541
C 4.318818 -0.347014 0.955184
C -4.319464 -0.336227 -0.957060
C 1.713107 -2.531730 -0.412766
C -1.716967 -2.531686 0.399755
C 1.383442 -3.383213 0.668168
C -1.388225 -3.377850 -0.685634
C 3.012681 -2.278701 2.108334
C -3.015688 -2.263500 -2.120217
C 5.064659 1.244413 -0.758460
C -5.063529 1.247046 0.764888
C 5.203769 0.177416 1.889848
C -5.203508 0.194366 -1.889099
C 2.020325 -3.249444 1.916728
C -2.024669 -3.236582 -1.933586
C 5.946028 1.749289 0.211167
C -5.944013 1.758262 -0.202215
C 6.033092 1.243409 1.515298
C -6.031469 1.259468 -1.509045
C 6.997178 3.485983 -1.202621
C -6.992327 3.489562 1.220283
C 8.032305 4.530348 -0.971817
C -8.026940 4.535669 0.995153
H 3.665616 -1.022984 -2.080896
H 2.423144 0.125994 -1.550634
H -3.667769 -1.029210 2.075514
H -2.423665 0.120911 1.551593
H 1.217387 -2.620049 -1.374273
H -1.221561 -2.625801 1.360875
H 3.507302 -2.186929 3.073603
H -3.509989 -2.165932 -3.085081
H 5.023721 1.661384 -1.766327
H -5.022189 1.658631 1.774950
H 5.257818 -0.228401 2.898108
H -5.257886 -0.205999 -2.899518
H 1.760477 -3.910724 2.740077
H -1.765540 -3.893812 -2.760398
H 0.024197 -4.784795 1.386967
H -0.030884 -4.777578 -1.411605
H 6.738258 1.680313 2.218568
H -6.735899 1.701062 -2.210121
H 7.624099 5.534060 -1.173577
H 8.890138 4.384131 -1.648204
H 8.416654 4.526914 0.062165
H -7.619969 5.537605 1.207878
H -8.887374 4.382810 1.666770
H -8.407421 4.541552 -0.040249


%chk=000281562-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281562

0 1
O 7.787339 2.528304 0.042467
O -7.784060 2.538903 -0.028933
O 7.166882 3.321128 -2.089361
O -7.160091 3.321699 2.105570
N 0.408605 -3.908700 0.546206
N -0.414038 -3.905245 -0.567515
C 3.582257 -0.248680 -1.071050
C -3.581562 -0.248260 1.068393
C 3.008270 -1.317202 -0.146578
C -3.009773 -1.313490 0.138774
C 3.804837 -1.413089 1.035661
C -3.807576 -1.403285 -1.043110
C 4.793964 0.259659 -0.296617
C -4.793357 0.264902 0.297316
C 4.905987 -0.440996 0.943072
C -4.907457 -0.430240 -0.945286
C 1.878472 -2.126307 -0.334409
C -1.880845 -2.124837 0.322051
C 1.530625 -3.060795 0.681544
C -1.535148 -3.055409 -0.698215
C 3.454340 -2.341623 2.041784
C -3.459212 -2.327949 -2.053522
C 5.710101 1.257847 -0.669237
C -5.707795 1.262654 0.675170
C 5.961699 -0.133680 1.832545
C -5.963651 -0.117664 -1.832375
C 2.323421 -3.162427 1.862988
C -2.329195 -3.150987 -1.879325
C 6.760550 1.546536 0.240031
C -6.758743 1.556667 -0.231797
C 6.889723 0.865085 1.474284
C -6.890005 0.880756 -1.468866
C 7.924912 3.345230 -1.095704
C -7.919615 3.350660 1.113181
C 9.126803 4.251033 -0.929019
C -9.120968 4.258198 0.952120
H 3.869297 -0.664878 -2.056552
H 2.852528 0.559901 -1.271888
H -3.868196 -0.668362 2.052358
H -2.850651 0.558550 1.272047
H 1.257428 -2.044461 -1.231647
H -1.258896 -2.047563 1.219066
H 4.050535 -2.433641 2.956618
H -4.056386 -2.415313 -2.968171
H 5.628728 1.795206 -1.614547
H -5.624860 1.795846 1.622698
H 6.067626 -0.656778 2.788980
H -6.071208 -0.636433 -2.790985
H 2.046851 -3.890002 2.636644
H -2.054317 -3.875637 -2.656321
H 0.149140 -4.520528 1.323082
H -0.156099 -4.514280 -1.347072
H 7.720831 1.133606 2.133192
H -7.721403 1.153209 -2.125793
H 8.800428 5.303560 -0.996736
H 9.833122 4.073936 -1.758851
H 9.631490 4.079535 0.031840
H -8.795631 5.309813 1.035990
H -9.831804 4.069394 1.775574
H -9.620642 4.099025 -0.013467


