%chk=000220853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220853

0 1
O -0.222417 1.740535 0.316057
O -1.590806 -2.649270 -0.833559
O -2.947644 2.421160 0.321826
N 0.421408 -0.915729 -0.553203
C 4.138597 -0.091746 -0.148085
C 5.392451 -0.956795 0.037920
C 2.876479 -0.957097 -0.260705
C 6.655164 -0.092487 0.152064
C 1.635496 -0.074108 -0.444543
C 7.911223 -0.955473 0.338251
C -0.848464 -0.452342 -0.335627
C -1.217176 0.827461 0.009256
C -1.916020 -1.531797 -0.486138
C -3.318361 -1.151144 -0.186951
C -3.657539 0.175095 0.133466
C 9.171201 -0.100503 0.452584
C -2.612090 1.260845 0.173519
C -4.311514 -2.138171 -0.226367
C -4.985783 0.503236 0.414916
C -5.640951 -1.803929 0.059237
C -5.976734 -0.487286 0.379846
C -0.235006 2.967503 -0.499087
C 1.073557 3.640771 -0.133809
H 4.039032 0.611932 0.702168
H 4.248275 0.538550 -1.052143
H 5.285505 -1.586671 0.942474
H 5.494773 -1.661668 -0.809796
H 2.981106 -1.664144 -1.107203
H 2.768585 -1.582956 0.648208
H 6.556447 0.611947 1.000468
H 6.765468 0.538711 -0.750612
H 1.724300 0.557950 -1.358253
H 1.520294 0.640216 0.413881
H 7.804469 -1.585679 1.242961
H 8.013734 -1.659876 -0.510391
H 0.544814 -1.904098 -0.780907
H 10.062207 -0.724463 0.585616
H 9.119645 0.583011 1.307793
H 9.329154 0.509007 -0.444414
H -4.038261 -3.166292 -0.481400
H -5.239045 1.540142 0.660127
H -6.411232 -2.574627 0.029968
H -7.011501 -0.224789 0.603210
H -0.303140 2.690213 -1.561095
H -1.122474 3.554554 -0.193221
H 1.939350 3.110725 -0.545001
H 1.200620 3.667987 0.958990
H 1.100705 4.674689 -0.496694


%chk=000220853-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220853

0 1
O -0.375877 2.006943 0.271926
O -1.345389 -2.662671 -0.288148
O -3.208396 2.462873 0.379072
N 0.456381 -0.743950 -0.080126
C 4.253135 -0.123101 0.029823
C 5.489502 -1.049028 0.071242
C 2.917409 -0.898702 0.014419
C 6.827760 -0.276460 0.089490
C 1.700641 0.045545 -0.045624
C 8.066024 -1.201298 0.120439
C -0.847711 -0.327944 -0.042142
C -1.324834 0.987904 0.092698
C -1.812822 -1.482098 -0.151892
C -3.268312 -1.203426 -0.125673
C -3.727205 0.133160 0.025964
C 9.399049 -0.422383 0.140377
C -2.759612 1.277068 0.173938
C -4.194287 -2.266803 -0.248389
C -5.114587 0.393637 0.052607
C -5.580043 -1.999970 -0.222716
C -6.038936 -0.668947 -0.071537
C -0.545720 3.287926 -0.484919
C 0.698277 4.122306 -0.194232
H 4.274356 0.556049 0.907086
H 4.312983 0.525478 -0.869016
H 5.430837 -1.700836 0.967833
H 5.470093 -1.726673 -0.807835
H 2.900823 -1.582456 -0.859911
H 2.846991 -1.533301 0.921182
H 6.852384 0.396482 0.972147
H 6.885450 0.380770 -0.803576
H 1.769182 0.688379 -0.946477
H 1.687702 0.723041 0.825164
H 8.007328 -1.858865 1.011825
H 8.041248 -1.872355 -0.762432
H 0.540424 -1.765255 -0.190066
H 10.267733 -1.105767 0.164081
H 9.461038 0.234042 1.028931
H 9.497448 0.218266 -0.756397
H -3.809409 -3.284961 -0.362079
H -5.442674 1.430277 0.175635
H -6.298592 -2.820820 -0.317433
H -7.114273 -0.461460 -0.048224
H -0.634988 3.044407 -1.563241
H -1.472714 3.777001 -0.146339
H 1.616330 3.605495 -0.525747
H 0.782204 4.324982 0.887397
H 0.631548 5.090598 -0.723501


