%chk=000191486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191486

0 1
O -1.611370 -1.033732 -0.677362
O -3.291639 2.731548 -0.124316
O 0.898130 0.132226 -1.305387
O -3.370350 -1.673211 -1.909244
O -0.013316 -2.684114 0.488027
O 3.060727 -0.935211 1.001631
O -3.601490 -3.064328 0.268160
O -3.914218 -1.262401 1.578102
O 1.033965 2.649795 -0.137750
O 4.193028 -1.699603 -0.810818
O 6.089176 0.342336 -0.134247
N -0.826514 2.180561 1.102919
C -1.426466 1.303991 0.069680
C -0.951599 -0.157761 0.282097
C -2.973386 1.364254 0.163288
C -3.601332 0.432827 -0.878738
C 0.559443 -0.335153 -0.000422
C -3.038703 -0.975351 -0.746658
C 1.016582 -1.817288 -0.006590
C -3.578980 -1.725097 0.516912
C 2.169900 -2.080935 0.978953
C 0.342059 2.907052 0.840313
C 0.706176 3.937960 1.863802
C 4.004526 -0.830184 -0.000848
C 4.708534 0.530689 0.143092
C 4.061397 1.531749 -0.796523
H -1.104454 1.647560 -0.957826
H -1.202384 -0.536737 1.300101
H -3.345939 1.121878 1.188897
H -3.387080 0.803399 -1.911246
H -4.706831 0.422347 -0.804035
H 1.130318 0.258074 0.758957
H 1.286447 -2.106960 -1.051991
H -1.450199 2.471882 1.854761
H -4.259806 2.858909 -0.198290
H 1.817570 -2.137402 2.025790
H 2.733818 -2.992730 0.712114
H 1.012977 1.127171 -1.291860
H -2.882572 -2.539651 -1.964768
H -0.748445 -2.743226 -0.174419
H 0.783568 3.524744 2.879279
H 1.688271 4.381868 1.623198
H -0.015581 4.767590 1.892284
H -3.911732 -3.606548 1.048450
H 4.712512 0.872071 1.207294
H 3.062919 1.845744 -0.444689
H 3.930219 1.141488 -1.814635
H 4.674480 2.440338 -0.873986
H 6.224845 0.012371 -1.055352


%chk=000191486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191486

0 1
O -1.487626 -0.950001 -0.786801
O -3.474247 2.740301 -0.254819
O 1.154758 0.425281 -0.831076
O -3.235352 -1.737902 -2.124519
O 0.033618 -2.591070 0.967233
O 3.311510 -0.874271 0.911132
O -2.953672 -3.072314 0.333369
O -4.335615 -1.378270 1.141653
O 0.956385 2.887426 0.206611
O 3.960421 -1.925073 -1.068791
O 6.099625 -0.237670 -1.358611
N -1.098822 2.313050 1.142274
C -1.515229 1.374558 0.080535
C -0.998506 -0.074160 0.318696
C -3.056079 1.356223 0.017286
C -3.552831 0.392209 -1.076353
C 0.541897 -0.199205 0.329123
C -2.952761 -1.008038 -0.924834
C 0.997993 -1.686845 0.318266
C -3.514402 -1.788513 0.299167
C 2.281407 -1.925868 1.133449
C 0.052118 3.070143 1.089943
C 0.198488 4.153012 2.147371
C 4.068378 -0.987100 -0.241542
C 5.076019 0.157903 -0.391093
C 4.379923 1.470662 -0.814335
H -1.113964 1.729781 -0.887257
H -1.384082 -0.458731 1.288205
H -3.463006 1.031291 1.001062
H -3.240046 0.765237 -2.067042
H -4.655457 0.322411 -1.054882
H 0.884607 0.289020 1.268383
H 1.148788 -1.959334 -0.742759
H -1.824749 2.606660 1.799542
H -4.459955 2.770799 -0.349454
H 2.054624 -1.858902 2.209226
H 2.707415 -2.912795 0.887923
H 1.202531 1.416506 -0.637824
H -2.775927 -2.618182 -2.082955
H -0.738774 -2.705669 0.352444
H -0.614485 4.152645 2.892847
H 1.163245 4.025920 2.666354
H 0.223260 5.137021 1.647873
H -3.304938 -3.594690 1.103587
H 5.590953 0.303681 0.575328
H 3.693559 1.831845 -0.029193
H 3.801847 1.324291 -1.742488
H 5.158337 2.231007 -0.994990
H 5.696023 -0.929481 -1.951166


