%chk=000200871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200871

0 1
O 0.931062 -0.190172 -3.345944
O -1.275732 -1.484242 2.850094
O 3.176705 -0.249876 -0.882177
O -3.659542 -1.926978 0.369260
O 3.259107 2.206025 0.374582
O -4.411636 -0.926940 -1.809050
N 0.267551 0.200479 -1.201586
N -0.654437 -1.798092 0.679830
C 0.600600 0.318013 0.241831
C -1.017810 -0.516729 -1.438556
C 0.625846 -1.069401 0.914794
C -1.016480 -1.903125 -0.758126
C 1.240244 0.131249 -2.207555
C -1.582310 -1.842003 1.719776
C 2.653884 0.634740 -1.914550
C -2.947723 -2.495925 1.484649
C 4.324395 0.200222 -0.245174
C -4.110971 -0.621750 0.495467
C 4.393152 1.424698 0.474100
C -4.579356 -0.074815 -0.739745
C 5.403876 -0.683940 -0.230862
C -4.154224 0.131396 1.660463
C 5.544043 1.744856 1.196262
C -5.116221 1.207627 -0.769808
C 6.549313 -0.361080 0.508239
C -4.693500 1.430089 1.614503
C 6.616888 0.842336 1.210203
C -5.172215 1.955952 0.420388
C 3.260560 3.483586 1.059692
C -4.909141 -0.478922 -3.094281
H -0.169227 0.968358 0.716552
H 1.585095 0.825888 0.384840
H -1.187690 -0.631945 -2.535988
H -1.847172 0.113603 -1.045822
H 1.459390 -1.683373 0.501426
H 0.803275 -0.965313 2.011607
H -2.018803 -2.375865 -0.889880
H -0.271950 -2.572608 -1.247802
H 2.656484 1.689890 -1.578240
H 3.293740 0.515508 -2.809657
H -2.852268 -3.555807 1.172179
H -3.558140 -2.438963 2.406553
H 5.334619 -1.618436 -0.788341
H -3.772294 -0.262788 2.602671
H 5.617960 2.674684 1.752669
H -5.487717 1.641229 -1.693448
H 7.388179 -1.054876 0.527525
H -4.731309 2.018556 2.529802
H 7.512418 1.090171 1.779910
H -5.593836 2.959556 0.393449
H 3.358310 3.333907 2.139025
H 4.049264 4.128227 0.661900
H 2.265754 3.872845 0.805205
H -5.989269 -0.314336 -3.050182
H -4.370364 0.414791 -3.421325
H -4.669380 -1.339079 -3.733948


%chk=000200871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200871

0 1
O 1.310952 -0.517749 -3.389829
O -1.676690 -1.455721 2.993095
O 3.423652 -0.260971 -0.691615
O -3.838865 -1.887944 0.223752
O 3.487865 2.186430 0.636855
O -4.774264 -0.791959 -1.981100
N 0.492626 -0.256740 -1.221866
N -0.869876 -1.710594 0.816957
C 0.581324 0.196599 0.183754
C -0.763497 -0.963118 -1.551623
C 0.391500 -1.004450 1.139156
C -0.968460 -2.159995 -0.592854
C 1.477343 -0.128097 -2.188910
C -1.844209 -1.841942 1.789444
C 2.793618 0.540465 -1.781516
C -3.180515 -2.502662 1.387231
C 4.645495 0.253040 -0.196072
C -4.359426 -0.587491 0.372240
C 4.706754 1.492320 0.510763
C -4.892996 -0.009393 -0.822864
C 5.807850 -0.528385 -0.339401
C -4.394427 0.135894 1.582983
C 5.939783 1.934891 1.042278
C -5.478481 1.274901 -0.771251
C 7.038478 -0.091842 0.205016
C -4.982465 1.424614 1.620471
C 7.101265 1.141557 0.887605
C -5.527243 1.989030 0.451309
C 3.496787 3.436503 1.404689
C -5.343936 -0.246414 -3.215640
H -0.224568 0.935673 0.369930
H 1.554579 0.668337 0.378043
H -0.694422 -1.306618 -2.596483
H -1.621092 -0.268676 -1.458701
H 1.246378 -1.698380 1.024702
H 0.333274 -0.672244 2.188264
H -1.954347 -2.603507 -0.788660
H -0.178079 -2.914090 -0.779367
H 2.637464 1.580086 -1.435412
H 3.449711 0.529641 -2.668508
H -3.027483 -3.551109 1.079392
H -3.833278 -2.478930 2.277551
H 5.723944 -1.477614 -0.878044
H -3.954142 -0.282386 2.493252
H 6.003730 2.883558 1.583784
H -5.896470 1.725807 -1.676156
H 7.935599 -0.708413 0.090186
H -5.005487 1.975423 2.566335
H 8.050395 1.492423 1.306591
H -5.985297 2.983389 0.477303
H 3.821516 3.260194 2.447735
H 4.151149 4.192987 0.930833
H 2.454642 3.787751 1.393661
H -6.433433 -0.075314 -3.114180
H -4.845515 0.698347 -3.508909
H -5.157714 -1.016012 -3.978802


