%chk=000199030.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199030

0 1
O 2.544354 -0.987875 -1.625713
O 1.760434 3.835037 -0.395277
O 2.617899 2.749681 1.361798
C 0.717844 -0.948942 0.002239
C 0.408409 -2.002851 1.094545
C 1.733857 -2.710275 1.436822
C 0.961030 0.429439 0.650344
C 2.054022 -1.435561 -0.617760
C -0.358430 -0.920237 -1.100952
C 2.653820 -2.540305 0.221803
C 1.342546 1.522378 -0.351379
C -1.696217 -0.427319 -0.622300
C -2.656200 -1.331627 -0.142251
C -2.004435 0.941652 -0.671303
C 1.980245 2.686193 0.337519
C -3.902977 -0.869401 0.288458
C -3.251631 1.399051 -0.240818
C -4.203968 0.495110 0.241316
H -0.333818 -2.735250 0.729018
H -0.048283 -1.545332 1.988098
H 1.568115 -3.774473 1.674247
H 2.192602 -2.261754 2.337077
H 0.045940 0.735273 1.200628
H 1.755423 0.337569 1.424396
H -0.462264 -1.935040 -1.540732
H 0.004654 -0.293574 -1.946272
H 2.732413 -3.469305 -0.375003
H 3.692988 -2.293093 0.509884
H 2.051424 1.130802 -1.126667
H 0.448027 1.855046 -0.932926
H -2.435502 -2.396182 -0.107642
H -1.262997 1.652147 -1.045009
H -4.643340 -1.576354 0.659947
H -3.483156 2.462523 -0.282349
H -5.175466 0.852320 0.575765
H 2.189038 4.636027 0.006548


%chk=000199030-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199030

0 1
O 2.508148 -1.091150 -1.757951
O 2.168652 3.854387 -0.376452
O 2.697142 2.630960 1.521620
C 0.690398 -0.948314 -0.058578
C 0.387999 -1.993311 1.056768
C 1.779332 -2.494655 1.541500
C 0.993220 0.441649 0.603194
C 2.012674 -1.481298 -0.669857
C -0.413087 -0.855540 -1.165450
C 2.626005 -2.547145 0.247117
C 1.498393 1.540573 -0.356832
C -1.785402 -0.425937 -0.661637
C -2.715409 -1.386280 -0.180698
C -2.181362 0.937860 -0.667248
C 2.169669 2.676440 0.387508
C -3.987618 -0.998417 0.294714
C -3.452866 1.332752 -0.193213
C -4.360989 0.365576 0.294600
H -0.177870 -2.842903 0.626507
H -0.224438 -1.570437 1.871399
H 1.714451 -3.472630 2.047798
H 2.221549 -1.780571 2.259894
H 0.062927 0.780496 1.098174
H 1.743016 0.314336 1.406612
H -0.492046 -1.853418 -1.639147
H -0.052223 -0.168406 -1.952523
H 2.519667 -3.526614 -0.263096
H 3.708119 -2.376567 0.382398
H 2.243259 1.125997 -1.066345
H 0.694798 1.962997 -0.982685
H -2.444634 -2.449326 -0.191583
H -1.498453 1.698300 -1.065165
H -4.689540 -1.758525 0.656340
H -3.736419 2.391183 -0.212316
H -5.348797 0.668640 0.659116
H 2.658136 4.564797 0.121614


