%chk=000193329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193329

0 1
O 6.080626 0.473168 0.648369
O -5.526269 -0.483423 -1.228288
O -6.016788 1.755994 0.663891
C 1.999956 -1.044772 -0.433844
C 2.734584 0.287296 -0.076742
C 0.613243 -1.097113 0.221857
C -0.231191 0.078659 -0.348511
C 4.143025 0.024326 -0.703712
C 1.933467 1.433263 -0.720960
C -1.662113 0.106603 0.280036
C 0.490878 1.435698 -0.186441
C 3.034051 -2.131856 -0.100422
C 4.392654 -1.489111 -0.464631
C -0.088714 -2.432287 -0.070622
C 2.880099 0.518781 1.434319
C -2.317427 -1.269778 0.134645
C -1.491745 -2.459742 0.541184
C -2.501257 1.182671 -0.472963
C -1.634956 0.442539 1.781179
C 5.233917 0.897537 -0.105858
C -3.585803 -1.434452 -0.272171
C -3.969372 1.024502 -0.209671
C -4.489287 -0.314043 -0.625941
C 5.216724 2.341290 -0.532102
C -4.696932 1.995940 0.366308
H 1.845726 -1.069971 -1.543997
H 0.716098 -0.975519 1.326973
H -0.359916 -0.107157 -1.445244
H 4.100662 0.219235 -1.799835
H 1.927818 1.328870 -1.821858
H 2.416065 2.408601 -0.513719
H 0.498977 1.728044 0.882490
H -0.080926 2.224424 -0.711535
H 2.856995 -3.057295 -0.669025
H 3.000705 -2.408423 0.966684
H 5.129145 -1.635401 0.349837
H 4.828789 -1.954661 -1.361881
H 0.510167 -3.271781 0.331098
H -0.152346 -2.603805 -1.162980
H 3.276293 1.514124 1.657997
H 1.918783 0.424141 1.952877
H 3.562630 -0.211117 1.889540
H -1.426065 -2.481106 1.650936
H -1.997038 -3.408211 0.263502
H -2.326799 1.095372 -1.567500
H -2.147074 2.193442 -0.195165
H -1.219366 1.438869 1.964471
H -2.648200 0.426295 2.202880
H -1.028197 -0.273369 2.346508
H -4.044202 -2.418644 -0.375438
H 5.612596 2.457468 -1.549183
H 4.203289 2.767754 -0.520445
H 5.849499 2.954326 0.126230
H -4.319527 2.972537 0.652711
H -6.470550 2.575970 0.971463


%chk=000193329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193329

0 1
O 6.058478 0.719876 0.692079
O -5.824243 -0.614926 -0.787620
O -6.205058 2.073407 0.206460
C 2.033402 -0.995480 -0.325950
C 2.770133 0.325617 0.072959
C 0.622527 -1.130487 0.283265
C -0.240061 0.093475 -0.165641
C 4.142212 0.083530 -0.687002
C 1.918809 1.512207 -0.437988
C -1.728352 0.051030 0.374362
C 0.472220 1.445291 0.125757
C 3.080446 -2.103986 -0.065094
C 4.443352 -1.433180 -0.446272
C -0.056243 -2.446489 -0.158907
C 3.022032 0.445022 1.599450
C -2.339704 -1.331216 0.078267
C -1.494854 -2.551571 0.395988
C -2.554158 1.144686 -0.376867
C -1.808037 0.294321 1.913085
C 5.276510 1.014465 -0.254128
C -3.625552 -1.472864 -0.373038
C -4.061856 0.995342 -0.238110
C -4.606242 -0.364892 -0.505824
C 5.429749 2.323962 -1.020363
C -4.817802 2.089133 0.083700
H 1.890694 -0.938594 -1.431064
H 0.704142 -1.142346 1.391026
H -0.322656 0.004708 -1.275092
H 3.940565 0.268464 -1.762681
H 1.879970 1.483005 -1.547781
H 2.369252 2.483481 -0.151186
H 0.505499 1.627713 1.216494
H -0.109203 2.277645 -0.312862
H 2.887586 -3.012383 -0.662371
H 3.071821 -2.406218 0.999505
H 5.190286 -1.534920 0.359817
H 4.878610 -1.885864 -1.355111
H 0.534884 -3.316233 0.185335
H -0.080956 -2.488626 -1.267754
H 3.468749 1.426810 1.841789
H 2.087923 0.353430 2.179010
H 3.725195 -0.322812 1.962557
H -1.431126 -2.659946 1.500483
H -1.995824 -3.462681 0.020892
H -2.288015 1.080838 -1.453990
H -2.244985 2.148153 -0.028552
H -1.423444 1.295775 2.176678
H -2.858092 0.237144 2.250298
H -1.226620 -0.453255 2.480965
H -4.037536 -2.471975 -0.568138
H 5.840472 2.111219 -2.027410
H 4.453195 2.818253 -1.173158
H 6.120727 3.000064 -0.492822
H -4.318960 3.053536 0.276982
H -6.544458 2.954045 0.502875


