%chk=000229718.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229718

0 1
O 1.371985 -0.534253 -0.341717
O 0.938461 1.652831 -1.075690
C 3.191207 1.099191 -0.268276
C 2.810388 -0.382856 -0.505425
C 2.342032 1.939823 -1.242412
C 3.400906 -1.375567 0.498306
C 2.939773 1.550288 1.181690
C 0.596768 0.265903 -1.247754
C 3.414380 -2.806056 -0.057470
C -0.844870 0.140179 -0.828408
C 3.562027 2.909658 1.488544
C 3.978277 -3.798141 0.956159
C -1.857844 0.258638 -1.789213
C -1.176934 -0.085411 0.514196
C -3.535416 -0.089274 -0.064844
C -4.996008 -0.211584 0.328795
C -3.196000 0.143854 -1.407085
C -2.515387 -0.203508 0.891958
C -5.380250 0.899732 1.313740
C -5.280071 -1.601162 0.913016
H 4.270985 1.234766 -0.511535
H 3.060872 -0.669768 -1.552791
H 2.381166 3.021090 -1.013465
H 2.621649 1.770070 -2.295290
H 2.793834 -1.348272 1.428944
H 4.422958 -1.064775 0.784715
H 3.333792 0.798622 1.891169
H 1.840793 1.581426 1.352414
H 0.815491 -0.042121 -2.290124
H 4.006502 -2.847988 -0.991797
H 2.379804 -3.097388 -0.335652
H 4.646817 2.906611 1.339141
H 3.140735 3.700536 0.856428
H 3.374483 3.198170 2.529649
H 5.008602 -3.552456 1.236014
H 3.382925 -3.815276 1.876730
H 3.981182 -4.816749 0.551646
H -1.607163 0.447236 -2.831818
H -0.376226 -0.173201 1.252140
H -5.630483 -0.090064 -0.587969
H -3.977229 0.239041 -2.158513
H -2.767580 -0.382124 1.935342
H -4.839885 0.809623 2.262557
H -6.450744 0.873587 1.542095
H -5.149674 1.889404 0.902148
H -4.980893 -2.391990 0.215434
H -6.346177 -1.729742 1.127094
H -4.735161 -1.770152 1.848384


%chk=000229718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229718

0 1
O 1.391530 -0.444495 0.012219
O 0.987937 1.620483 -1.189488
C 3.319437 1.022414 -0.542635
C 2.833023 -0.446608 -0.370923
C 2.405546 1.677700 -1.607430
C 3.567704 -1.279377 0.686162
C 3.350474 1.809302 0.793092
C 0.586035 0.223801 -1.010263
C 3.244161 -2.787880 0.598602
C -0.872924 0.170356 -0.607601
C 3.847781 3.264415 0.652772
C 3.943179 -3.608395 1.702867
C -1.764470 1.192818 -1.005087
C -1.370188 -0.931890 0.129435
C -3.647106 0.010195 0.064760
C -5.134176 -0.068103 0.421698
C -3.133925 1.109023 -0.668612
C -2.738911 -1.007528 0.459732
C -5.354877 -0.038193 1.957957
C -5.809567 -1.315559 -0.208512
H 4.349305 0.990427 -0.961815
H 2.916531 -0.952486 -1.364867
H 2.622646 2.746595 -1.752981
H 2.519999 1.150568 -2.582246
H 3.293697 -0.903202 1.690116
H 4.659516 -1.121634 0.566598
H 4.015164 1.276334 1.499924
H 2.337591 1.798138 1.235726
H 0.772074 -0.303667 -1.982250
H 3.547539 -3.170384 -0.397917
H 2.147499 -2.918136 0.666981
H 4.824487 3.309236 0.132477
H 3.133383 3.892612 0.091037
H 3.976864 3.729009 1.647375
H 5.043303 -3.500655 1.645247
H 3.625744 -3.269950 2.707176
H 3.704663 -4.684443 1.618642
H -1.376260 2.052156 -1.559707
H -0.674117 -1.712071 0.452260
H -5.626159 0.829912 -0.004303
H -3.815679 1.911254 -0.978174
H -3.102796 -1.868353 1.034046
H -4.898525 -0.921719 2.442063
H -6.434911 -0.042199 2.197143
H -4.902273 0.863581 2.408039
H -5.684218 -1.324840 -1.306234
H -6.891935 -1.329406 0.018775
H -5.368994 -2.248756 0.189321


