%chk=000275820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275820

0 1
O -4.553328 0.052000 -3.221208
O -2.404849 0.049484 -3.023754
O -6.678591 -0.048804 2.555750
O -7.481273 -0.014888 0.545895
N -0.202821 -0.004143 0.186633
N -1.264830 0.010364 -0.704246
N -3.543080 0.040767 -2.544666
N -6.556504 -0.027927 1.341502
C 2.142892 -0.011788 0.712853
C 2.982001 -1.262933 0.547714
C 2.981044 1.244818 0.589668
C 3.728489 -1.533519 -0.613987
C 3.727319 1.554680 -0.562317
C 1.006075 0.004598 -0.293493
C 3.003565 -2.179662 1.614029
C 3.001919 2.125382 1.686052
C 3.761335 -0.640271 -1.778062
C 3.760832 0.700899 -1.755622
C 4.482185 -2.723932 -0.685506
C 4.480113 2.747389 -0.593961
C 3.757132 -3.349033 1.533899
C 3.754598 3.297351 1.645099
C 4.501159 -3.621386 0.378822
C 4.498412 3.608753 0.499793
C -2.550153 0.001134 -0.201974
C -3.673394 0.015788 -1.096371
C -2.807212 -0.023128 1.210234
C -4.985709 0.005954 -0.572528
C -5.192495 -0.017668 0.798329
C -4.085945 -0.032308 1.698677
H 1.692639 -0.029317 1.750339
H 1.304769 0.022688 -1.352138
H 2.424943 -1.975831 2.515253
H 2.423459 1.891079 2.579944
H 3.821729 -1.161270 -2.741462
H 3.820826 1.253880 -2.701053
H 5.064341 -2.937831 -1.581875
H 5.062102 2.991594 -1.482660
H 3.767411 -4.050670 2.366785
H 3.764348 3.970742 2.500988
H 5.092390 -4.533924 0.314487
H 5.088952 4.523380 0.466030
H -1.110796 0.028200 -1.743930
H -1.950673 -0.034222 1.894239
H -5.845652 0.017306 -1.267974
H -4.288372 -0.050871 2.778373


%chk=000275820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275820

0 1
O -4.493614 0.058354 -3.269971
O -2.233455 0.048131 -2.994052
O -6.742719 -0.045041 2.586759
O -7.533515 -0.007085 0.442427
N -0.154941 -0.008940 0.323810
N -1.207306 0.007211 -0.594604
N -3.456007 0.042350 -2.509163
N -6.569955 -0.022630 1.303721
C 2.242162 -0.015327 0.767113
C 3.055961 -1.303652 0.588354
C 3.051527 1.280997 0.631369
C 3.753235 -1.602267 -0.625950
C 3.747639 1.621793 -0.572443
C 1.054696 -0.001042 -0.182294
C 3.034087 -2.263059 1.628786
C 3.026287 2.205510 1.702801
C 3.921483 -0.658706 -1.740351
C 3.919061 0.716118 -1.717519
C 4.355791 -2.888837 -0.763364
C 4.345864 2.914153 -0.667484
C 3.664525 -3.518094 1.488460
C 3.652475 3.466613 1.603797
C 4.319920 -3.836583 0.275722
C 4.306792 3.827024 0.402235
C -2.507461 0.000156 -0.145965
C -3.630386 0.017073 -1.056885
C -2.795201 -0.024362 1.259989
C -4.958813 0.009643 -0.578378
C -5.184979 -0.014581 0.801843
C -4.104664 -0.031666 1.729598
H 1.810055 -0.033165 1.783520
H 1.257525 0.016897 -1.267716
H 2.496321 -2.029618 2.555408
H 2.489296 1.939769 2.621117
H 4.185064 -1.126427 -2.699482
H 4.180847 1.216299 -2.660641
H 4.878542 -3.127217 -1.697457
H 4.867786 3.184810 -1.593188
H 3.628281 -4.245606 2.306291
H 3.613840 4.166716 2.445114
H 4.798051 -4.813272 0.145667
H 4.781633 4.809075 0.304545
H -1.079736 0.026060 -1.627804
H -1.944953 -0.036965 1.943880
H -5.792792 0.022619 -1.284653
H -4.326948 -0.050324 2.799642


