%chk=000187050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187050

0 1
O 3.091482 1.338286 -2.127023
O 1.206195 1.951619 -1.107121
O -1.744738 0.845373 0.076656
O -3.038913 -0.586517 1.268943
O -7.228551 -0.594428 -1.702968
O -5.451103 -0.942641 -3.019135
N 2.918193 0.331308 1.289479
N 1.085695 -1.982746 -0.460016
N 3.194034 -0.975076 -0.722161
N 0.863135 -0.360192 2.442942
N 2.749913 0.308598 3.684755
N 3.001786 -3.348907 -1.159365
C 2.350010 0.061078 -0.063398
C 0.886932 -0.542080 -0.083429
C 2.501920 1.428188 -0.847242
C 3.280790 2.397332 0.056518
C 3.771126 1.562677 1.246386
C 0.069118 -0.365649 1.212565
C 2.095613 0.086484 2.436172
C 2.493028 -2.099949 -0.790149
C -0.755634 0.940386 1.142571
C -2.854395 0.055673 0.263784
C -3.705100 0.147923 -0.974391
C -5.143613 -0.261734 -0.673764
C -5.871137 -0.632388 -1.930262
H 0.322508 -0.064552 -0.938699
H 2.622609 3.228412 0.374399
H 4.115549 2.858552 -0.502608
H 4.821518 1.225181 1.094725
H 3.727303 2.131215 2.197088
H -0.659539 -1.223507 1.326762
H 0.718998 -2.659522 0.215588
H -0.160977 1.812333 0.799893
H -1.267600 1.147048 2.098920
H 3.608280 0.499702 -2.259859
H 1.119562 2.188537 -2.065235
H 3.711947 -0.014154 3.724149
H 2.215530 -0.026011 4.486995
H 2.362275 -3.983638 -1.622896
H 3.929216 -3.338165 -1.575228
H -3.263564 -0.505818 -1.767740
H -3.657070 1.173362 -1.404750
H -5.689148 0.543315 -0.130335
H -5.166689 -1.130539 0.033708
H -7.760795 -0.852571 -2.503225


%chk=000187050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187050

0 1
O 3.874901 1.103812 -1.754096
O 1.584820 1.634838 -1.991828
O -1.716822 0.749271 0.277178
O -3.216606 -0.659811 1.383373
O -7.403073 -0.223189 -1.635493
O -5.539342 -0.768312 -2.905988
N 2.601584 0.641081 1.248720
N 1.268082 -1.917197 -0.731492
N 3.345503 -0.961642 -0.485315
N 1.045863 -0.816447 2.349816
N 2.813495 0.162269 3.557623
N 3.225213 -3.251463 -1.151257
C 2.353200 0.100753 -0.093158
C 0.932815 -0.564071 -0.214285
C 2.657107 1.375230 -1.038379
C 2.820226 2.567570 -0.077709
C 3.350928 1.917272 1.219806
C 0.182474 -0.651970 1.153521
C 2.117906 -0.035408 2.367380
C 2.647522 -2.057068 -0.784995
C -0.722257 0.585664 1.382136
C -2.917529 0.051924 0.395408
C -3.774508 0.264744 -0.841894
C -5.260478 -0.018239 -0.561635
C -6.021842 -0.368946 -1.822427
H 0.327460 -0.006277 -0.950786
H 1.835832 3.035451 0.096271
H 3.507702 3.309949 -0.511918
H 4.445710 1.753261 1.152280
H 3.131820 2.505350 2.126745
H -0.489331 -1.532337 1.120954
H 0.636176 -2.703420 -0.573291
H -0.143304 1.522333 1.360298
H -1.255868 0.471478 2.340075
H 4.088493 0.125462 -1.479871
H 1.942879 1.370558 -2.878429
H 3.815777 0.341267 3.540685
H 2.407163 -0.269780 4.386017
H 2.681893 -4.010822 -1.550440
H 4.238769 -3.317758 -1.129760
H -3.415368 -0.423069 -1.633152
H -3.609264 1.283660 -1.229989
H -5.759099 0.828951 -0.060686
H -5.343812 -0.873729 0.138687
H -7.877111 -0.499396 -2.466704


