%chk=000112226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112226

0 1
O -3.655079 1.131207 -1.233481
C 1.610693 0.814169 0.190839
C 0.253964 0.139402 0.390202
C 0.034121 -1.160976 0.126276
C 2.740161 -0.238493 0.030721
C -0.844271 1.040387 0.896189
C 1.107282 -2.105291 -0.351131
C 2.329670 -1.370603 -0.912191
C -2.258275 0.510934 0.610644
C -1.312233 -1.825777 0.273542
C -2.357306 -0.971666 1.000677
C 1.536018 1.690318 -1.077009
C 1.966347 1.697187 1.405504
C -2.594019 0.676975 -0.867455
H 2.995279 -0.659520 1.022352
H 3.659979 0.250878 -0.336370
H -0.721928 1.158820 1.994716
H -0.736426 2.059745 0.471870
H 1.414786 -2.748555 0.500646
H 0.704817 -2.794800 -1.119353
H 3.168422 -2.077270 -1.051767
H 2.099660 -0.965266 -1.916775
H -2.999252 1.095250 1.211412
H -1.685430 -2.095462 -0.737169
H -1.195800 -2.789176 0.812078
H -3.374850 -1.355539 0.795080
H -2.213747 -1.059917 2.096316
H 2.486412 2.197624 -1.268423
H 1.298376 1.086228 -1.959383
H 0.764664 2.462052 -0.991132
H 2.991847 2.074654 1.333697
H 1.313568 2.571488 1.484873
H 1.884801 1.135994 2.342115
H -1.815149 0.360399 -1.578111


%chk=000112226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112226

0 1
O -3.885345 0.748485 -1.253439
C 1.636656 0.818389 0.187507
C 0.247620 0.159541 0.356754
C 0.021246 -1.165401 0.096546
C 2.745259 -0.266440 0.047812
C -0.875547 1.078319 0.843904
C 1.098494 -2.115449 -0.412183
C 2.355869 -1.390360 -0.931321
C -2.299766 0.521160 0.611017
C -1.338481 -1.827889 0.294899
C -2.353805 -0.966429 1.073379
C 1.640163 1.735813 -1.074661
C 1.980778 1.689985 1.431961
C -2.700763 0.627772 -0.855456
H 2.936143 -0.713438 1.045272
H 3.686593 0.222928 -0.271494
H -0.751309 1.270176 1.929492
H -0.782781 2.071703 0.359487
H 1.378526 -2.810523 0.409620
H 0.667012 -2.758616 -1.207521
H 3.189994 -2.108037 -1.049486
H 2.156430 -0.966280 -1.934584
H -3.044268 1.095765 1.195261
H -1.753237 -2.104242 -0.698799
H -1.191496 -2.792216 0.823979
H -3.378416 -1.363376 0.952221
H -2.113131 -0.988854 2.154094
H 2.609027 2.263955 -1.160400
H 1.482975 1.150644 -1.998123
H 0.846521 2.503665 -1.024429
H 3.011135 2.083053 1.339828
H 1.303722 2.556794 1.536222
H 1.925492 1.094165 2.362210
H -1.854207 0.580638 -1.589573


