%chk=000189700.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189700

0 1
O -0.452371 1.217972 -2.039790
O 3.413716 -0.991368 1.900372
O 4.819986 -1.744574 0.141849
O -1.883753 -3.318642 -0.113435
O -4.171299 -2.686996 -0.193729
N -0.798257 2.737350 0.839300
C -0.277473 1.415850 0.362571
C 0.482756 1.620360 -1.033404
C 0.857277 0.909863 1.320176
C -1.375801 0.359120 0.204977
C 1.684877 0.685438 -0.947430
C 1.894444 0.324443 0.420824
C -1.996929 3.136176 0.042809
C -2.727717 0.725613 0.128736
C 0.956007 3.041410 -1.326251
C -3.173257 2.160497 0.186951
C 2.967914 -0.486028 0.685030
C -1.100369 2.754779 2.303664
C -0.993963 -1.007410 0.112126
C 2.503146 0.245086 -1.968878
C -3.762786 -0.243106 0.001212
C 3.814900 -0.939853 -0.377522
C -2.000029 -1.932908 -0.016450
C 3.611103 -0.601250 -1.694872
C -3.372814 -1.557023 -0.067169
C 4.590812 -1.806056 1.588126
C -3.249747 -3.827237 -0.239589
H 0.480167 0.187488 2.066289
H 1.292747 1.752324 1.899265
H -1.686497 3.189531 -1.029548
H -2.295185 4.161525 0.342261
H 1.414314 3.495899 -0.436021
H 1.689629 3.074952 -2.136070
H 0.110409 3.685724 -1.603518
H -3.914676 2.359176 -0.614898
H -3.710137 2.338377 1.141845
H -1.703705 1.904436 2.655623
H -1.631787 3.684549 2.559499
H -0.149851 2.767325 2.861943
H 0.049749 -1.315256 0.121254
H 2.315107 0.535760 -3.000568
H -0.031653 1.182869 -2.919366
H -4.806915 0.048575 -0.049183
H 4.257956 -0.958508 -2.489923
H 4.358962 -2.847413 1.847746
H 5.457199 -1.350509 2.084955
H -3.456883 -4.459859 0.632865
H -3.346521 -4.296771 -1.227055


%chk=000189700-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189700

0 1
O -0.470698 1.475351 -2.140915
O 3.447780 -0.925860 1.889861
O 4.752308 -1.844649 0.098932
O -1.741406 -3.391843 0.196047
O -4.059656 -2.834199 -0.063103
N -0.883641 2.784534 0.834281
C -0.266532 1.510774 0.358234
C 0.488644 1.726498 -1.046493
C 0.921567 1.093992 1.298398
C -1.329206 0.375307 0.240572
C 1.626222 0.702644 -0.982277
C 1.894278 0.390405 0.378645
C -2.053702 3.155808 -0.009107
C -2.711521 0.699251 0.097446
C 1.094518 3.142253 -1.199317
C -3.212134 2.140314 0.104603
C 2.952858 -0.475410 0.635904
C -1.215968 2.807658 2.280073
C -0.929740 -0.997111 0.275648
C 2.390249 0.173958 -2.037618
C -3.695099 -0.328585 -0.018578
C 3.718997 -1.017941 -0.421283
C -1.908649 -1.976764 0.148800
C 3.468513 -0.718054 -1.763470
C -3.270594 -1.653189 0.000091
C 4.439561 -1.981136 1.544726
C -3.067706 -3.935981 -0.188988
H 0.598485 0.467143 2.146434
H 1.387520 2.009716 1.712202
H -1.720747 3.195243 -1.058990
H -2.390841 4.167189 0.285732
H 1.789890 3.369169 -0.373769
H 1.665077 3.198736 -2.147915
H 0.310660 3.915007 -1.196779
H -3.924076 2.294725 -0.728929
H -3.784404 2.316078 1.038894
H -1.918836 2.004625 2.604026
H -1.678033 3.784101 2.513111
H -0.300785 2.720772 2.888208
H 0.116932 -1.285928 0.384593
H 2.156861 0.418369 -3.080117
H -0.022710 1.686078 -2.999780
H -4.754655 -0.075230 -0.122070
H 4.074429 -1.154344 -2.561418
H 3.983769 -2.973927 1.724148
H 5.357177 -1.813987 2.128366
H -3.341030 -4.744039 0.506257
H -3.031123 -4.265826 -1.245718


