%chk=000209014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209014

0 1
I -0.078665 -3.154790 0.789297
I -0.731353 2.709193 0.746627
I 3.996076 0.251169 -2.319417
O -2.191224 -0.414628 0.691971
O -5.711490 -1.009998 0.273518
O -3.606604 -1.713044 1.931250
O -1.162298 -0.288590 2.737059
O 2.417457 3.442664 1.042969
O 3.155325 -3.185785 1.070812
N 2.097145 2.512957 -1.042578
N 2.641950 -2.364569 -1.021597
C -4.447098 0.849804 -0.443280
C -4.393284 -0.650555 -0.145477
C -5.087691 1.139548 -1.805703
C 0.117241 -0.169805 0.643334
C -4.147135 0.857749 -2.974056
C -3.418219 -0.995986 0.992496
C 1.658933 1.234198 -0.601255
C 1.933269 -1.210138 -0.590433
C 0.789093 -1.320803 0.229480
C 0.516408 1.097077 0.218225
C 2.334638 0.070776 -1.027386
C -1.078884 -0.312716 1.551866
C 2.400681 3.597492 -0.152516
C 3.171553 -3.351521 -0.123073
C 2.700110 4.874835 -0.876508
C 3.737780 -4.540784 -0.837300
H -3.420536 1.276725 -0.395992
H -5.033573 1.350232 0.356494
H -4.122662 -1.257432 -1.043540
H -6.018283 0.543180 -1.910754
H -5.408471 2.200264 -1.834027
H -3.228062 1.451700 -2.904084
H -4.623625 1.098966 -3.931105
H -3.850997 -0.196381 -3.013676
H -5.713762 -1.859713 0.774108
H 2.416220 2.566671 -2.018965
H 2.968194 -2.354182 -1.997033
H 1.882916 5.179209 -1.546692
H 3.623569 4.819587 -1.468455
H 2.837129 5.693007 -0.147409
H 4.626958 -4.293828 -1.432684
H 3.004002 -5.019571 -1.502210
H 4.048073 -5.304086 -0.101801


%chk=000209014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209014

0 1
I 0.103514 -3.291710 0.596073
I -0.627753 2.748847 0.090740
I 4.618908 0.142112 -1.832223
O -2.187760 -0.588912 0.048853
O -5.624009 -1.681372 -0.620832
O -3.653128 -1.920046 1.343603
O -1.386828 -0.192542 2.238169
O 2.641554 3.368238 0.988976
O 3.459057 -2.942303 1.476366
N 2.420205 2.424842 -1.141016
N 3.003686 -2.465505 -0.767421
C -4.971013 0.715806 -0.319928
C -4.511155 -0.738083 -0.636167
C -6.016927 1.229537 -1.336470
C 0.169025 -0.225336 0.335062
C -5.445581 1.467941 -2.751316
C -3.456130 -1.167925 0.378014
C 1.914851 1.163277 -0.719995
C 2.211319 -1.306503 -0.532713
C 0.935131 -1.390181 0.090029
C 0.642195 1.036948 -0.096482
C 2.674329 -0.021482 -0.926544
C -1.164605 -0.342064 1.034474
C 2.789349 3.462357 -0.255620
C 3.607582 -3.223393 0.260231
C 3.338518 4.701324 -0.952180
C 4.405064 -4.420336 -0.242035
H -4.083587 1.379718 -0.322357
H -5.398295 0.731254 0.702359
H -4.080452 -0.782416 -1.650535
H -6.849293 0.502739 -1.385235
H -6.437589 2.177558 -0.947645
H -4.591608 2.171648 -2.724885
H -6.215666 1.895239 -3.418726
H -5.097247 0.527433 -3.216392
H -5.730450 -2.026694 0.305670
H 2.714561 2.512435 -2.116978
H 3.288134 -2.660266 -1.730668
H 2.504925 5.386686 -1.193895
H 3.877188 4.467952 -1.888075
H 4.018100 5.223141 -0.261828
H 4.868396 -4.248027 -1.229981
H 3.734672 -5.296301 -0.321904
H 5.189617 -4.657533 0.491928


