%chk=000186347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186347

0 1
O 4.563588 -1.528854 -0.629319
O -4.563671 1.529159 0.629401
C 0.647825 0.317815 0.048204
C -0.648119 -0.317713 -0.048102
C 1.839006 -0.465517 0.011665
C -1.839283 0.465610 -0.011530
C 0.730162 1.731028 0.176597
C -0.730450 -1.730943 -0.176537
C 3.087273 0.178811 0.129342
C -3.087583 -0.178738 -0.129180
C 1.709452 -1.906652 -0.139014
C -1.709729 1.906735 0.139119
C -0.498208 2.504110 0.223747
C 0.497942 -2.504019 -0.223687
C 1.990079 2.346319 0.262042
C -1.990336 -2.346222 -0.262013
C 3.149283 1.575190 0.243188
C -3.149566 -1.575082 -0.243102
C 4.367424 -0.602998 0.127734
C -4.367727 0.603077 -0.127437
C 5.400381 -0.183856 1.135401
C -5.401002 0.183666 -1.134669
H 2.631683 -2.495941 -0.205497
H -2.631947 2.496046 0.205614
H -0.410095 3.585452 0.337948
H 0.409817 -3.585358 -0.337928
H 2.059409 3.430267 0.346990
H -2.059705 -3.430160 -0.347041
H 4.118689 2.071301 0.312964
H -4.118943 -2.071248 -0.312905
H 4.960034 0.094623 2.101107
H 5.983930 0.674807 0.776219
H 6.121219 -0.996182 1.316953
H -5.983911 -0.675413 -0.775461
H -4.960972 -0.094291 -2.100674
H -6.122347 0.995672 -1.315639


%chk=000186347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186347

0 1
O 4.477373 -1.981392 0.364635
O -4.476580 1.981610 -0.364041
C 0.651150 0.282937 0.130521
C -0.651489 -0.283380 -0.130274
C 1.833869 -0.555423 0.185044
C -1.834181 0.554983 -0.184787
C 0.764807 1.704694 0.338452
C -0.765221 -1.705118 -0.338205
C 3.120121 0.051149 0.448983
C -3.120437 -0.051458 -0.448707
C 1.666589 -1.979161 -0.030525
C -1.667005 1.978704 0.030782
C -0.419522 2.521291 0.280578
C 0.419090 -2.521722 -0.280324
C 2.041245 2.271119 0.596297
C -2.041698 -2.271482 -0.596049
C 3.181558 1.460773 0.648609
C -3.181988 -1.461084 -0.648358
C 4.408939 -0.722642 0.526036
C -4.408942 0.722843 -0.525624
C 5.708853 0.037137 0.812802
C -5.709309 -0.036101 -0.812657
H 2.556896 -2.608031 0.011138
H -2.557375 2.607515 -0.010853
H -0.315320 3.600782 0.440961
H 0.314859 -3.601211 -0.440695
H 2.124495 3.352168 0.754461
H -2.124996 -3.352528 -0.754208
H 4.146532 1.932520 0.849814
H -4.146969 -1.932792 -0.849557
H 5.673702 0.554750 1.789074
H 5.920565 0.794781 0.036068
H 6.529410 -0.695675 0.828038
H -5.921630 -0.793702 -0.036049
H -5.674398 -0.553596 -1.788998
H -6.529392 0.697244 -0.827884


