%chk=000253248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253248

0 1
O 2.126967 -2.030179 0.778536
O 3.910445 0.117261 -1.576988
O -4.921651 -2.083193 0.133716
O -6.214868 0.554445 0.191463
N 0.163567 1.358190 -0.310850
N 4.768509 -0.256501 0.503360
C -0.560759 0.046324 -0.440553
C 1.570239 1.194371 -0.788376
C 2.325388 0.288477 0.210029
C 0.056764 -0.883568 0.623624
C -0.546129 2.463831 -1.023348
C -2.059498 0.186662 -0.244396
C -1.875662 2.706402 -0.292932
C 1.559831 -0.989738 0.526928
C -2.685002 1.446521 -0.186011
C 3.722754 0.021187 -0.369453
C -2.838485 -0.977798 -0.174898
C -4.072881 1.538377 -0.004754
C -4.222124 -0.888546 -0.008722
C 6.170848 -0.431355 -0.018167
C -4.842912 0.376583 0.095349
C 4.569074 -0.496955 1.957397
C 6.638962 0.850721 -0.713205
C 6.239093 -1.640344 -0.954640
C 4.411809 0.811000 2.732028
C -5.834772 -2.353063 -0.966624
C -6.827713 -0.083588 1.346317
H -0.401279 -0.412090 -1.458120
H 2.065802 2.189023 -0.822261
H 1.653854 0.768551 -1.816630
H 2.414530 0.854004 1.183715
H -0.392920 -1.896803 0.567710
H -0.202394 -0.502568 1.638267
H -0.728435 2.248740 -2.098510
H 0.082747 3.379101 -0.975673
H -2.443978 3.505754 -0.807840
H -1.671073 3.084190 0.734839
H -2.385679 -1.967408 -0.247904
H -4.569606 2.505710 0.059510
H 6.827790 -0.620052 0.873607
H 3.685973 -1.163171 2.110401
H 5.440792 -1.069255 2.350237
H 6.569334 1.721166 -0.054453
H 7.675608 0.759833 -1.051060
H 6.022736 1.062801 -1.603100
H 5.612128 -1.480725 -1.848265
H 5.872629 -2.552188 -0.470901
H 7.260756 -1.822080 -1.298907
H 5.265685 1.481034 2.572439
H 3.509478 1.359698 2.422653
H 4.333154 0.623906 3.808912
H -5.260059 -2.530031 -1.879558
H -6.538926 -1.523349 -1.093531
H -6.339175 -3.265115 -0.630755
H -6.551513 -1.143058 1.404007
H -7.895601 0.046428 1.142018
H -6.525552 0.453930 2.249225


%chk=000253248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253248

0 1
O 2.157239 -2.161168 0.407959
O 3.997229 0.177984 -1.648965
O -5.047769 -2.136654 0.021949
O -6.315111 0.494759 0.324305
N 0.111195 1.310897 -0.459204
N 4.746408 -0.172970 0.529515
C -0.605681 0.014409 -0.537826
C 1.514155 1.163056 -0.900152
C 2.306764 0.275829 0.104786
C 0.047288 -0.949886 0.497464
C -0.609466 2.423248 -1.120175
C -2.112825 0.157764 -0.306183
C -1.910160 2.702666 -0.350110
C 1.560229 -1.054058 0.333426
C -2.734721 1.432356 -0.208656
C 3.753626 0.075902 -0.400273
C -2.917654 -1.006368 -0.240469
C -4.131257 1.504721 0.012875
C -4.308960 -0.929925 -0.045235
C 6.171516 -0.346006 0.078395
C -4.922105 0.345608 0.121770
C 4.492822 -0.401284 1.972423
C 6.727212 0.915239 -0.621641
C 6.335408 -1.623375 -0.778386
C 4.825677 0.827589 2.847019
C -6.049886 -2.298763 -1.057956
C -6.822332 -0.109472 1.578784
H -0.460017 -0.442531 -1.554244
H 1.984460 2.161074 -0.936659
H 1.609549 0.719052 -1.916975
H 2.291195 0.811482 1.075687
H -0.372130 -1.967474 0.434320
H -0.170583 -0.545725 1.506166
H -0.840475 2.198405 -2.191404
H 0.043945 3.314295 -1.102688
H -2.500257 3.482827 -0.867401
H -1.646277 3.097783 0.650441
H -2.484140 -2.005195 -0.361069
H -4.629912 2.475890 0.108379
H 6.745259 -0.486629 1.016021
H 3.448999 -0.715420 2.122469
H 5.108539 -1.264769 2.289431
H 6.614658 1.806557 0.022511
H 7.803325 0.774541 -0.833512
H 6.198315 1.094873 -1.570339
H 5.793078 -1.515854 -1.730948
H 5.937258 -2.506521 -0.247179
H 7.406076 -1.796554 -0.993866
H 5.880390 1.132209 2.721757
H 4.190463 1.690963 2.577865
H 4.661768 0.596165 3.915805
H -5.542317 -2.362634 -2.039229
H -6.767115 -1.458093 -1.061181
H -6.565189 -3.246735 -0.840414
H -6.586024 -1.187841 1.622760
H -7.911490 0.048349 1.560285
H -6.381592 0.406916 2.452674


