%chk=000208435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208435

0 1
O -0.453922 1.434713 0.152904
O 2.273677 -2.267756 -0.161392
N -2.892124 -0.281972 -0.102412
N 0.003320 -2.574691 -0.333670
N 0.932710 -0.368371 0.004812
C -3.338411 0.256159 1.219034
C -3.293531 0.569848 -1.263463
C -3.162079 1.769236 1.417031
C -3.117796 2.084033 -1.072638
C -3.758793 2.549784 0.240038
C -1.509206 -0.713568 -0.130843
C -1.307197 -2.064237 -0.308889
C -0.400223 0.232140 0.021527
C 1.170599 -1.755140 -0.160918
C -2.415492 -3.046935 -0.481584
C 2.103515 0.492850 0.172436
C 0.249293 -4.026791 -0.540417
C 2.225393 1.646213 -0.618485
C 3.081657 0.158988 1.122645
C 3.339696 2.470820 -0.446164
C 4.191150 0.993609 1.274751
C 4.322164 2.147698 0.495355
H -2.819981 -0.296491 2.030048
H -4.419924 -0.004609 1.289206
H -4.370681 0.339511 -1.434614
H -2.744130 0.233977 -2.167353
H -2.080783 2.014100 1.506193
H -3.629932 2.080889 2.366994
H -3.554160 2.623930 -1.930803
H -2.035451 2.338544 -1.059249
H -4.855219 2.411078 0.203027
H -3.586890 3.633353 0.380200
H -2.417952 -3.814192 0.305526
H -2.374060 -3.551817 -1.457142
H -3.404056 -2.544948 -0.431198
H -0.147885 -4.356844 -1.513997
H -0.206804 -4.621400 0.267622
H 1.341597 -4.233640 -0.534826
H 1.449837 1.908546 -1.337893
H 2.990277 -0.749510 1.717407
H 3.439890 3.371347 -1.050803
H 4.957851 0.740080 2.005809
H 5.188355 2.793966 0.621591


%chk=000208435-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208435

0 1
O -0.208639 1.497676 0.615200
O 2.405746 -2.203441 -0.642673
N -2.643268 -0.002242 0.231120
N 0.070976 -2.422491 -0.614832
N 1.101390 -0.376950 0.072225
C -2.992006 0.816512 1.415706
C -3.597631 0.089265 -0.895132
C -3.293762 2.291546 1.059231
C -3.866470 1.558671 -1.305024
C -4.334579 2.381966 -0.081758
C -1.360462 -0.566326 0.059924
C -1.203017 -1.902901 -0.313438
C -0.169132 0.280383 0.268988
C 1.270403 -1.699100 -0.408610
C -2.384626 -2.836222 -0.410947
C 2.317413 0.389600 0.330777
C 0.228958 -3.799940 -1.133888
C 2.580730 1.563090 -0.407445
C 3.213607 -0.050412 1.328531
C 3.753633 2.302565 -0.140995
C 4.387359 0.689867 1.586207
C 4.659800 1.868301 0.853660
H -2.163912 0.763697 2.140502
H -3.891190 0.366312 1.897064
H -4.567713 -0.379472 -0.608390
H -3.194146 -0.479910 -1.750969
H -2.346378 2.767499 0.750331
H -3.664227 2.816227 1.961876
H -4.630622 1.579502 -2.107609
H -2.935567 1.997276 -1.714248
H -5.312072 1.987677 0.270498
H -4.500576 3.437632 -0.368600
H -2.147768 -3.833705 -0.002320
H -2.738834 -2.978197 -1.450705
H -3.214404 -2.398419 0.166370
H -0.473386 -3.978725 -1.963834
H 0.058672 -4.550334 -0.340777
H 1.264466 -3.900490 -1.490297
H 1.869336 1.899960 -1.166566
H 3.000974 -0.968770 1.884245
H 3.957798 3.216237 -0.709761
H 5.086983 0.346012 2.355765
H 5.570439 2.443072 1.055999


