%chk=000267199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267199

0 1
O 2.337227 1.790604 1.825011
O 0.159087 -0.914915 0.979785
O 3.492605 -0.587483 -2.711856
O -3.613296 -2.005463 -2.616168
N 0.157951 3.242655 0.058881
C -1.074149 1.346474 -0.290830
C 0.227752 1.861336 -0.170476
C -1.985606 2.450051 -0.116742
C -1.194470 3.625989 0.108985
C 1.489767 1.129581 -0.311427
C -1.474277 -0.026821 -0.532165
C -3.392617 2.558144 -0.114086
C 1.308769 4.126027 0.276265
C -1.787070 4.890545 0.321172
C 2.374981 0.999828 0.909028
C -0.841517 -1.105870 0.322430
C 1.836308 0.553740 -1.470929
C -2.394993 -0.349305 -1.456503
C 3.347156 -0.137258 0.877388
C -1.513327 -2.443086 0.305617
C -3.964342 3.798021 0.094216
C 3.696679 -0.744121 -0.344701
C -3.166234 4.956075 0.308775
C -2.489030 -2.751575 -0.660399
C 3.062862 -0.286408 -1.620500
C -2.897247 -1.728426 -1.677560
C 3.926379 -0.580682 2.068277
C -1.145660 -3.402439 1.253905
C 4.631767 -1.780905 -0.366777
C -3.084437 -4.014801 -0.674029
C 4.855042 -1.631814 2.042941
C -1.752403 -4.666164 1.243394
C 5.208517 -2.226459 0.831685
C -2.716518 -4.971984 0.282301
H -4.002360 1.670456 -0.271054
H 1.859759 3.822278 1.195069
H 2.006384 4.082768 -0.578584
H 0.986500 5.172922 0.404238
H -1.174489 5.770196 0.490787
H 1.234272 0.651009 -2.380861
H -2.837531 0.406252 -2.115595
H -5.047702 3.907349 0.098928
H -3.668113 5.909887 0.468548
H 3.651585 -0.103627 3.013348
H -0.381423 -3.158482 1.997693
H 4.908260 -2.237947 -1.321388
H -3.834502 -4.247229 -1.436306
H 5.300985 -1.979778 2.975289
H -1.465490 -5.409359 1.987775
H 5.934744 -3.039670 0.811334
H -3.186136 -5.956117 0.270170


%chk=000267199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267199

0 1
O 2.111607 1.679141 2.024882
O -0.138587 -0.954979 1.188364
O 2.970464 -1.476880 -2.385913
O -4.379297 -1.803227 -2.196677
N 0.180627 3.140075 0.109227
C -1.196361 1.337072 -0.264788
C 0.149989 1.757827 -0.087162
C -2.021521 2.534461 -0.154818
C -1.133217 3.637258 0.087452
C 1.367783 0.930546 -0.150634
C -1.689853 -0.027595 -0.438796
C -3.420617 2.774989 -0.180059
C 1.377938 3.975258 0.259056
C -1.594646 4.958386 0.268360
C 2.295167 0.903935 1.035062
C -1.075230 -1.162620 0.354309
C 1.631991 0.150980 -1.255361
C -2.781696 -0.299074 -1.249304
C 3.434823 -0.062304 1.000273
C -1.630344 -2.537596 0.163486
C -3.889596 4.090050 0.002786
C 3.671783 -0.879240 -0.142527
C -2.987070 5.171801 0.216606
C -2.748361 -2.770578 -0.686733
C 2.772837 -0.784087 -1.333075
C -3.375174 -1.630559 -1.423865
C 4.293222 -0.159836 2.122527
C -1.035543 -3.624004 0.852888
C 4.762900 -1.780248 -0.152061
C -3.261712 -4.079781 -0.836501
C 5.375885 -1.063031 2.109092
C -1.548814 -4.927579 0.696854
C 5.612381 -1.873530 0.969824
C -2.663959 -5.156345 -0.148325
H -4.130614 1.955948 -0.329878
H 1.643087 4.090604 1.323239
H 2.227832 3.506429 -0.261861
H 1.193943 4.962430 -0.196327
H -0.909632 5.789063 0.465251
H 0.983311 0.186869 -2.137910
H -3.236829 0.495082 -1.850775
H -4.966641 4.287315 -0.016763
H -3.382639 6.183545 0.356945
H 4.089299 0.475318 2.990269
H -0.179327 -3.422065 1.504024
H 4.921242 -2.392420 -1.045767
H -4.123327 -4.224697 -1.496006
H 6.034474 -1.140172 2.980642
H -1.086199 -5.764905 1.229908
H 6.455342 -2.572703 0.961866
H -3.060721 -6.170325 -0.267008


