%chk=000196270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196270

0 1
O 2.572474 0.566100 1.605531
O 0.798613 4.246894 0.357839
O -0.492518 -1.267942 -1.698225
O -1.159915 1.351069 1.302671
N 2.149927 1.138210 -0.539063
N 0.079561 -1.006084 0.498756
N -2.672313 0.623842 -0.213584
N -2.137626 3.963890 1.440885
C 2.416232 2.581147 -0.282508
C 2.525698 3.229492 -1.672401
C 1.839916 0.873549 -1.972877
C 1.875924 2.248243 -2.664947
C 1.531480 -1.167895 0.255898
C 2.155359 0.226513 0.505764
C 2.147579 -2.175613 1.243907
C -2.300967 -0.823864 -0.111005
C 1.253546 3.142097 0.558524
C -0.833325 -1.044583 -0.548196
C -3.775904 0.797603 -1.214700
C -3.258551 -1.500690 -1.073174
C 1.580041 -3.555680 1.066553
C -4.061686 -0.613605 -1.672514
C -2.061236 1.632471 0.515854
C -2.581560 3.081373 0.337096
C 0.679415 -4.074512 2.008733
C 1.952959 -4.335821 -0.039432
C -2.119814 3.633240 -1.011234
C 0.159802 -5.361843 1.845858
C 1.428139 -5.620631 -0.198229
C 0.531744 -6.137019 0.743443
H 3.359015 2.699457 0.315995
H 2.021118 4.216588 -1.685246
H 3.582532 3.414005 -1.933042
H 2.602743 0.185463 -2.394807
H 0.846109 0.380462 -2.083154
H 0.854479 2.579056 -2.926430
H 2.440095 2.204496 -3.611894
H 1.697231 -1.522760 -0.798595
H 2.012309 -1.810910 2.287570
H 3.250944 -2.190717 1.107099
H -2.460567 -1.181613 0.940278
H 0.862427 2.471140 1.347783
H -0.187189 -0.623598 1.415908
H -3.441459 1.449815 -2.054295
H -4.661985 1.268582 -0.736814
H -3.212883 -2.569386 -1.213444
H -4.833297 -0.802490 -2.401292
H -3.706416 3.059831 0.382805
H 0.384766 -3.476410 2.868528
H 2.649430 -3.941582 -0.776099
H -2.517287 4.648814 -1.162279
H -2.448527 3.015345 -1.854090
H -1.023194 3.725576 -1.063486
H -0.536025 -5.761630 2.581578
H 1.718347 -6.221558 -1.058675
H -2.081098 3.453195 2.320980
H -1.204099 4.346948 1.259467
H 0.126586 -7.138574 0.618428


%chk=000196270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196270

0 1
O 2.831056 0.550176 1.651648
O 0.921488 4.327979 0.371540
O -0.495700 -1.669541 -1.663203
O -1.241688 1.336654 1.370257
N 2.248890 1.212139 -0.489217
N 0.195830 -0.893560 0.438555
N -2.618013 0.543371 -0.307695
N -2.279455 3.958320 1.284156
C 2.625660 2.631114 -0.216631
C 2.767087 3.258158 -1.617460
C 1.841858 1.004067 -1.909953
C 1.766772 2.441845 -2.481521
C 1.644791 -1.096147 0.243602
C 2.321011 0.271232 0.516517
C 2.223295 -2.182198 1.192717
C -2.208114 -0.876529 -0.040636
C 1.476244 3.228299 0.622136
C -0.751498 -1.187772 -0.517323
C -3.757362 0.608347 -1.268578
C -3.243955 -1.665363 -0.811274
C 1.560479 -3.537741 1.009462
C -4.099240 -0.853642 -1.475885
C -2.117240 1.573545 0.462595
C -2.666204 3.019162 0.230061
C 0.573306 -3.994471 1.919187
C 1.904664 -4.370851 -0.086338
C -2.208912 3.595284 -1.134418
C -0.055334 -5.248626 1.740117
C 1.280146 -5.623407 -0.271372
C 0.295711 -6.067448 0.642377
H 3.549253 2.663472 0.393253
H 2.521973 4.332513 -1.594459
H 3.800370 3.133909 -1.986425
H 2.614636 0.407764 -2.434074
H 0.885100 0.461907 -1.985111
H 0.746801 2.846800 -2.355429
H 2.010741 2.467596 -3.556161
H 1.776647 -1.411843 -0.807432
H 2.122663 -1.820877 2.230829
H 3.309516 -2.248400 0.989114
H -2.254059 -1.058355 1.053013
H 1.125623 2.584312 1.457890
H -0.125310 -0.291832 1.216379
H -3.466733 1.091224 -2.222985
H -4.601204 1.189529 -0.845132
H -3.237711 -2.756268 -0.823946
H -4.925689 -1.169470 -2.116475
H -3.774673 2.940474 0.217172
H 0.304117 -3.366869 2.777725
H 2.669512 -4.037873 -0.799583
H -2.686578 4.578535 -1.280573
H -2.471472 2.943454 -1.983780
H -1.115465 3.749168 -1.132066
H -0.811229 -5.588161 2.457830
H 1.559892 -6.252842 -1.123837
H -2.449520 3.601959 2.231104
H -1.308219 4.286485 1.184813
H -0.187456 -7.041207 0.502924


