%chk=000277643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277643

0 1
O -3.648180 1.863937 0.922333
O -0.702088 -1.832958 1.619608
O -3.829177 -1.865000 -1.709498
N -3.724625 0.022186 -0.389104
N -2.240975 -1.838481 -0.038275
C 0.881995 2.084809 -0.782401
C 2.164982 1.702932 -0.017248
C -0.308550 1.152565 -0.462666
C 2.701710 0.321677 -0.413864
C -0.694667 1.149681 1.018457
C 4.032940 0.017564 0.285719
C -1.907223 0.240429 1.330597
C 0.525494 3.552903 -0.518867
C 4.574017 -1.384068 -0.070821
C -3.138850 0.802817 0.648641
C -1.542720 -1.199192 1.026559
C 5.074780 -1.439026 -1.519898
C 5.700046 -1.774570 0.896931
C -3.304106 -1.273694 -0.793125
H 1.089579 1.975304 -1.879009
H 1.985452 1.738651 1.073803
H 2.941379 2.469654 -0.211306
H -1.173761 1.460635 -1.082297
H -0.051431 0.125162 -0.789872
H 1.959895 -0.460620 -0.159087
H 2.834939 0.268479 -1.511939
H -0.930542 2.182580 1.353563
H 0.168991 0.814886 1.633877
H 4.784232 0.786093 0.024695
H 3.899225 0.090756 1.382357
H -2.096231 0.300051 2.444709
H 0.392427 3.760184 0.548387
H -0.404481 3.837564 -1.023843
H 1.311057 4.224395 -0.883519
H 3.743480 -2.124990 0.043647
H 5.430362 -2.441629 -1.779392
H 5.904632 -0.744188 -1.687007
H 4.280925 -1.177243 -2.227332
H 5.346345 -1.804421 1.932773
H 6.099719 -2.766393 0.659857
H 6.535467 -1.068037 0.852744
H -4.535267 0.420665 -0.891462
H -1.964593 -2.803851 -0.283226


%chk=000277643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277643

0 1
O -3.637770 1.787500 0.914550
O -0.432633 -1.863048 1.228562
O -4.023812 -2.024841 -1.722927
N -3.783065 -0.118644 -0.390026
N -2.229150 -1.898629 -0.229530
C 0.918439 2.266296 -0.735173
C 2.221031 1.815080 -0.017621
C -0.283189 1.305054 -0.496546
C 2.694707 0.381503 -0.351712
C -0.679394 1.134011 0.986780
C 4.083521 0.068878 0.252398
C -1.861308 0.126262 1.197624
C 0.568195 3.728267 -0.364627
C 4.554468 -1.401103 0.086346
C -3.150373 0.676455 0.585397
C -1.440221 -1.276585 0.756249
C 4.749609 -1.786246 -1.400377
C 5.858669 -1.642840 0.883053
C -3.389166 -1.390759 -0.845119
H 1.121230 2.237794 -1.828035
H 2.095755 1.914001 1.081184
H 3.025993 2.528776 -0.291633
H -1.152391 1.691555 -1.067846
H -0.035141 0.313073 -0.924430
H 1.966085 -0.361787 0.032165
H 2.723328 0.258384 -1.453661
H -0.993732 2.098153 1.423351
H 0.173978 0.750922 1.573074
H 4.842816 0.743776 -0.198344
H 4.057549 0.310623 1.336196
H -2.034915 0.071958 2.290941
H 0.412368 3.846441 0.724270
H -0.353267 4.064674 -0.875687
H 1.386714 4.412460 -0.655558
H 3.763828 -2.056717 0.510682
H 5.103260 -2.829985 -1.495045
H 5.504520 -1.129384 -1.875780
H 3.810779 -1.697841 -1.976249
H 5.722595 -1.412653 1.956464
H 6.190752 -2.694638 0.799843
H 6.675567 -1.000195 0.500043
H -4.639037 0.255963 -0.812833
H -1.940589 -2.833764 -0.536216


