%chk=000214702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214702

0 1
O 0.873648 -1.848297 1.642819
O -0.796717 0.542002 -1.004331
O -4.630750 -1.536170 1.014346
O -3.856195 -1.769069 -3.471533
O 1.318367 -3.474098 0.137450
O 3.023474 1.996506 -1.166994
O 6.234399 -1.470279 -0.127179
O 5.640633 1.167569 -1.183045
N -2.320165 -0.598605 -2.210592
N -4.245282 -1.619200 -1.202380
C -2.747358 -0.188998 0.255803
C -1.861652 -0.740107 1.405569
C -3.244853 1.213342 0.605724
C -1.493942 -2.217623 1.239616
C -1.860424 -0.041375 -0.991810
C -3.932820 -1.150931 0.105704
C -0.294344 -2.585502 2.110679
C -2.296932 2.217324 0.869457
C -4.609590 1.522115 0.674783
C -3.508870 -1.360568 -2.388277
C -2.710918 3.508642 1.198572
C -5.019243 2.818964 1.003996
C -4.074664 3.813719 1.266747
C 1.590609 -2.390048 0.593427
C 2.656160 -1.428888 0.183069
C 3.983632 -1.834102 0.210676
C 2.274449 -0.155079 -0.255815
C 3.263718 0.729186 -0.696712
C 4.983058 -0.925995 -0.212471
C 4.637293 0.361244 -0.672069
C 1.644963 2.455296 -1.187699
C 7.371514 -0.674559 -0.555563
C 5.709487 2.499275 -0.602363
H -2.395066 -0.587358 2.368074
H -0.929551 -0.131857 1.470311
H -2.354983 -2.865744 1.508346
H -1.252780 -2.456831 0.182743
H -0.378985 -2.232249 3.153873
H -0.079059 -3.670070 2.083409
H -1.735747 -0.457410 -3.053422
H -5.074749 -2.230302 -1.302452
H -1.229122 1.991166 0.805567
H -5.375380 0.767239 0.491945
H -1.969109 4.280110 1.403346
H -6.083577 3.048941 1.057410
H -4.397509 4.821680 1.524342
H 4.280869 -2.829526 0.540342
H 1.219457 0.125361 -0.260427
H 1.740478 3.418426 -1.702209
H 1.279345 2.577244 -0.164791
H 1.010057 1.763501 -1.756225
H 8.193478 -1.391639 -0.449392
H 7.490577 0.187903 0.105413
H 7.239274 -0.354327 -1.596126
H 6.602145 2.908550 -1.086638
H 5.826087 2.437348 0.480975
H 4.813469 3.070353 -0.877218


%chk=000214702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214702

0 1
O 0.716914 -2.092278 0.743982
O -1.181448 0.307064 -1.456567
O -4.780368 -1.672256 1.048262
O -5.329032 -0.442189 -3.394347
O 2.249540 -3.204772 2.103611
O 3.266704 1.350994 -1.914917
O 6.602990 -0.857953 0.956206
O 5.911437 1.147582 -1.118249
N -3.282424 0.008753 -2.357279
N -5.044542 -0.976130 -1.134879
C -3.006651 -0.227852 0.130050
C -1.976874 -0.967105 1.039504
C -3.309642 1.185696 0.740993
C -1.657381 -2.415967 0.602851
C -2.394160 0.025459 -1.268458
C -4.318768 -1.032659 0.069653
C -0.383137 -2.937914 1.272885
C -2.281258 2.164344 0.747729
C -4.556066 1.494747 1.340718
C -4.610976 -0.454101 -2.366164
C -2.499280 3.426806 1.338405
C -4.770482 2.762006 1.929000
C -3.746066 3.733465 1.930007
C 2.007242 -2.323201 1.242804
C 2.993310 -1.398568 0.619651
C 4.340755 -1.491932 1.015512
C 2.589487 -0.448188 -0.354871
C 3.555797 0.403332 -0.919197
C 5.317189 -0.629720 0.458419
C 4.929731 0.342709 -0.511750
C 1.896271 1.364360 -2.446046
C 7.782213 -0.091178 0.521362
C 5.740441 2.613304 -1.006895
H -2.378891 -0.964315 2.068084
H -1.047133 -0.373874 1.031011
H -2.495706 -3.089105 0.862649
H -1.507844 -2.469885 -0.493475
H -0.411665 -2.846220 2.374894
H -0.177884 -3.993256 1.017517
H -2.912817 0.307744 -3.265807
H -5.970492 -1.417230 -1.141100
H -1.312174 1.941065 0.289134
H -5.359458 0.752794 1.379911
H -1.693940 4.169407 1.337087
H -5.738714 2.983650 2.390976
H -3.915000 4.714200 2.387614
H 4.647336 -2.227623 1.763786
H 1.541140 -0.407359 -0.655653
H 1.904908 2.138451 -3.227618
H 1.156544 1.618529 -1.665442
H 1.631052 0.384532 -2.884256
H 8.615771 -0.564073 1.064649
H 7.700614 0.972270 0.808474
H 7.933108 -0.164056 -0.567123
H 6.629868 3.040860 -1.494693
H 5.707996 2.917718 0.057762
H 4.822220 2.935321 -1.523563


