%chk=000207446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207446

0 1
O -0.272476 0.472194 0.062585
O -5.545882 0.062996 -0.816488
O -1.688888 -1.622710 1.025112
N -1.651349 0.617228 0.334581
N -3.635465 -0.798468 0.102191
C -2.182700 1.466653 -0.777698
C -3.694867 1.586162 -0.615380
C -4.397120 0.254054 -0.481264
C -2.260058 -0.699033 0.489630
C 0.487160 0.492258 1.332682
C 1.906345 0.444467 0.847764
C 3.711756 -0.789517 -0.223286
C 2.387648 -0.716626 0.226661
C 4.568755 0.320571 -0.045103
C 2.752390 1.547702 1.013852
C -4.314977 -2.097119 0.367560
C 4.075816 1.478380 0.573447
C 4.200599 -2.038596 -0.883382
C 5.989344 0.274473 -0.507772
H -1.908884 1.063379 -1.779141
H -1.690146 2.464039 -0.692976
H -4.132256 2.142069 -1.474571
H -3.944842 2.198465 0.283320
H 0.199452 -0.404046 1.916661
H 0.231062 1.405824 1.892003
H 1.715115 -1.565221 0.090397
H 2.385792 2.457580 1.484399
H -3.610733 -2.935257 0.221053
H -5.173257 -2.222424 -0.317863
H -4.685634 -2.132390 1.405689
H 4.730338 2.337563 0.711476
H 4.543409 -1.839792 -1.908720
H 5.045425 -2.476535 -0.333077
H 3.424214 -2.812518 -0.948817
H 6.049602 0.096178 -1.591093
H 6.531784 1.206553 -0.304211
H 6.543229 -0.535838 -0.012120


%chk=000207446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207446

0 1
O -0.296285 0.813882 -0.281201
O -5.749838 -0.111392 -0.278418
O -1.365788 -1.625808 0.400114
N -1.720699 0.661186 -0.011063
N -3.555288 -0.878889 -0.012429
C -2.535426 1.653562 -0.733656
C -3.971424 1.569432 -0.192769
C -4.518309 0.143715 -0.183543
C -2.140117 -0.669415 0.126367
C 0.470619 0.891272 1.023363
C 1.920075 0.683534 0.671084
C 3.705725 -0.837655 -0.107264
C 2.355884 -0.591892 0.229901
C 4.657074 0.225892 0.005541
C 2.861607 1.732382 0.773205
C -4.010544 -2.284856 0.109282
C 4.215487 1.497059 0.446119
C 4.137230 -2.214694 -0.578785
C 6.117501 0.000688 -0.342272
H -2.505903 1.464895 -1.826910
H -2.102137 2.649035 -0.546524
H -4.656708 2.185643 -0.796534
H -4.007900 1.949903 0.846375
H 0.085485 0.085511 1.671783
H 0.284367 1.879614 1.484212
H 1.615463 -1.396435 0.142744
H 2.541674 2.727474 1.105810
H -3.530390 -2.906211 -0.663337
H -5.102822 -2.286402 -0.018694
H -3.738405 -2.687692 1.098330
H 4.943328 2.312909 0.531350
H 4.593158 -2.175150 -1.587047
H 4.896476 -2.657347 0.094964
H 3.280096 -2.907141 -0.622925
H 6.239248 -0.325993 -1.393206
H 6.708295 0.922027 -0.203812
H 6.568893 -0.789943 0.287945


