%chk=000194534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194534

0 1
O 2.566387 1.964982 0.165339
O 3.152511 -1.421707 -0.784028
O 5.604008 -0.828346 -0.234371
O 5.687226 -0.189916 2.333570
O -4.393594 2.391437 1.035998
O -0.707849 4.964674 0.234732
N -0.287136 0.388657 -0.608430
N -2.930530 0.034322 0.366407
N -0.450454 2.700788 -0.178465
N -4.025157 -2.496053 0.567997
N -2.551235 3.660306 0.617746
C 2.169519 0.631040 -0.158391
C 1.053353 0.602018 -1.222542
C 3.460842 -0.020788 -0.710202
C -0.798897 -0.923984 -0.442563
C 4.697406 0.209680 0.187661
C -1.024192 1.501616 -0.165566
C -2.157188 -1.048249 0.025246
C -0.039969 -2.055302 -0.710985
C -2.404587 1.236508 0.288445
C -2.725308 -2.375556 0.149211
C -0.600892 -3.342542 -0.572547
C -1.930448 -3.517067 -0.162767
C 4.428272 0.066480 1.695251
C -3.237709 2.417954 0.682305
C 0.277012 -4.511302 -0.877609
C -2.544130 -4.875942 -0.034764
C -1.175619 3.852416 0.215406
H 1.843403 0.130233 0.783276
H 1.051073 1.564586 -1.796745
H 1.241548 -0.208608 -1.969904
H 3.688480 0.325859 -1.745318
H 5.177485 1.185692 -0.051308
H 1.013477 -1.969900 -1.007230
H 3.936836 0.961407 2.116223
H 3.837096 -0.840049 1.932310
H 1.789353 2.591420 0.142960
H 4.009413 -1.938483 -0.762263
H 1.309275 -4.215854 -1.121276
H 0.341515 -5.203487 -0.024182
H -0.100748 -5.082614 -1.739490
H -3.441785 -4.975087 -0.661936
H -1.868410 -5.681615 -0.352046
H -2.815747 -5.098582 1.007120
H 6.149918 -1.128434 0.545150
H -4.576478 -1.675732 0.796906
H -4.461476 -3.391500 0.695272
H -3.081989 4.502551 0.886027
H 6.198720 0.642873 2.428967


%chk=000194534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194534

0 1
O 2.403038 2.050816 0.204096
O 3.406300 -1.343147 -0.813399
O 5.847291 -0.418835 -0.334932
O 5.927112 0.212975 2.327116
O -4.345573 2.414158 0.962364
O -0.396567 4.830648 0.415913
N -0.255407 0.238173 -0.542718
N -2.935045 -0.012576 0.301465
N -0.271042 2.532771 -0.030547
N -4.167146 -2.408699 0.474167
N -2.345615 3.577290 0.639580
C 2.223154 0.644182 -0.114986
C 1.087050 0.431368 -1.150595
C 3.544840 0.116908 -0.695938
C -0.812876 -1.052901 -0.425137
C 4.770681 0.456298 0.177917
C -0.941428 1.368164 -0.090188
C -2.195217 -1.121887 -0.013290
C -0.100608 -2.238260 -0.685866
C -2.341521 1.187338 0.277395
C -2.849005 -2.410493 0.084669
C -0.753897 -3.496776 -0.577249
C -2.127494 -3.601908 -0.209744
C 4.590059 0.181712 1.681661
C -3.123298 2.401874 0.655559
C 0.067973 -4.741808 -0.861027
C -2.853131 -4.929795 -0.099465
C -0.953277 3.704412 0.338343
H 1.982076 0.044560 0.791677
H 1.035790 1.328330 -1.793698
H 1.303870 -0.448124 -1.772443
H 3.716123 0.559747 -1.700554
H 5.035728 1.520443 0.026483
H 0.965569 -2.217520 -0.926786
H 3.902719 0.918967 2.133993
H 4.223471 -0.843094 1.856557
H 1.476197 2.480397 0.153289
H 4.344994 -1.678615 -0.877931
H 1.111293 -4.480249 -1.098716
H 0.080399 -5.428295 0.006102
H -0.341148 -5.310004 -1.717944
H -3.749117 -4.955460 -0.752336
H -2.217575 -5.778285 -0.391450
H -3.196141 -5.121265 0.937846
H 6.516157 -0.487619 0.401043
H -4.599075 -1.501634 0.666737
H -4.698678 -3.266830 0.579869
H -2.823907 4.448583 0.893146
H 6.184506 1.154764 2.494546


