%chk=000235422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235422

0 1
O 2.891878 -1.082382 -0.177383
O 1.737137 -1.829073 1.563874
O -2.427786 -2.113351 -0.620989
O -3.425181 2.570495 0.014275
O -4.331018 -0.155159 -0.503740
C 3.315232 0.160828 -0.863700
C 4.134017 1.005991 0.159440
C 1.870376 0.613005 1.225470
C 1.197349 1.261512 -0.015001
C 2.021057 0.897560 -1.270601
C 3.260951 1.248476 1.418116
C 2.113942 -0.864728 0.949412
C 4.104056 -0.346714 -2.055705
C 5.451301 0.329137 0.532170
C -0.258174 0.857066 -0.139080
C -1.240416 1.836922 -0.015058
C -0.615865 -0.480620 -0.367494
C -1.966113 -0.833802 -0.442830
C -2.605240 1.482387 -0.108922
C -2.989540 0.144498 -0.319735
C -1.449601 -3.188249 -0.620160
C -4.861279 2.374460 -0.077771
C -4.860283 -1.128289 0.439439
H 4.358320 1.989266 -0.318815
H 1.233674 0.737428 2.129343
H 1.247481 2.372475 0.126242
H 1.430488 0.253103 -1.952906
H 2.257851 1.802477 -1.855814
H 3.162420 2.330665 1.615501
H 3.741108 0.826702 2.322268
H 4.659689 0.455116 -2.551999
H 4.822871 -1.121312 -1.746934
H 3.452103 -0.822549 -2.800402
H 5.285358 -0.706515 0.862989
H 6.145311 0.292713 -0.314888
H 5.961576 0.859120 1.344246
H -0.994341 2.882152 0.154620
H 0.155085 -1.237988 -0.486297
H -2.093766 -4.073038 -0.688123
H -0.873640 -3.185103 0.312303
H -0.800664 -3.103834 -1.496397
H -5.116761 1.880347 -1.023136
H -5.229149 3.405497 -0.040671
H -5.208301 1.783099 0.773609
H -4.374342 -2.098885 0.278549
H -5.917230 -1.164255 0.158441
H -4.721843 -0.780451 1.464439


%chk=000235422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235422

0 1
O 3.099086 -1.169833 -0.090409
O 1.822734 -1.956784 1.658128
O -2.546342 -2.188853 -0.624748
O -3.444182 2.621636 -0.224318
O -4.411581 -0.131462 -0.656539
C 3.432878 0.115010 -0.842721
C 4.161132 1.070244 0.156202
C 1.903293 0.495385 1.226737
C 1.213253 1.121453 -0.039281
C 2.075342 0.717843 -1.282254
C 3.265071 1.221180 1.433844
C 2.221445 -0.977090 0.997066
C 4.278846 -0.341274 -2.030830
C 5.587271 0.610572 0.526048
C -0.264682 0.767987 -0.178354
C -1.235338 1.784346 -0.137566
C -0.683799 -0.578782 -0.337901
C -2.054607 -0.884467 -0.448770
C -2.620217 1.488928 -0.245825
C -3.050285 0.143257 -0.409530
C -1.561862 -3.276787 -0.687281
C -4.860956 2.523875 0.165939
C -5.090242 -1.036415 0.296282
H 4.231732 2.050679 -0.357895
H 1.255208 0.588493 2.112352
H 1.278329 2.217970 0.102115
H 1.543950 -0.040408 -1.884080
H 2.250352 1.590941 -1.936455
H 3.075143 2.286232 1.662105
H 3.784261 0.787692 2.308371
H 4.666100 0.531614 -2.587021
H 5.132888 -0.951514 -1.695152
H 3.672603 -0.953284 -2.720605
H 5.571595 -0.415562 0.937207
H 6.269528 0.623801 -0.342206
H 6.014411 1.279133 1.296020
H -0.954215 2.834811 -0.010419
H 0.053822 -1.383896 -0.369261
H -2.158354 -4.193720 -0.802494
H -0.959526 -3.330037 0.239292
H -0.891474 -3.155855 -1.559526
H -5.457319 2.027663 -0.614853
H -5.178660 3.570260 0.299468
H -4.973386 1.974955 1.120756
H -4.617620 -2.031751 0.287550
H -6.130389 -1.100100 -0.059105
H -5.065139 -0.611886 1.320110


