%chk=000106767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106767

0 1
O 4.036113 -1.112578 1.072711
O -2.841612 -1.521202 0.728596
O -3.415157 -0.580728 -1.246730
C 3.728104 -0.195501 -0.030482
C 2.652318 -1.059589 0.585791
C 3.870709 1.268622 0.314030
C 2.188791 -2.325000 -0.097435
C 2.950807 2.160862 -0.528311
C 1.169830 -2.058275 -1.210519
C 1.536310 2.244744 0.060041
C -0.235813 -1.701664 -0.712657
C 0.585642 3.033496 -0.849425
C -0.816153 3.195945 -0.242578
C -0.902314 -2.832366 0.082314
C -1.488108 1.845726 0.035177
C -2.992338 1.985861 0.300900
C -2.425890 -2.750758 0.055984
C -3.595900 0.687814 0.853844
C -3.296625 -0.477087 -0.048517
H 4.175819 -0.501209 -0.980918
H 1.957171 -0.624090 1.308572
H 4.929045 1.568729 0.164780
H 3.685480 1.425066 1.397487
H 1.767950 -3.016368 0.660863
H 3.066669 -2.863670 -0.514772
H 2.908643 1.788131 -1.570267
H 3.387350 3.177001 -0.593889
H 1.112871 -2.951285 -1.865422
H 1.539029 -1.238395 -1.860329
H 1.572273 2.712276 1.062801
H 1.140824 1.221887 0.217467
H -0.197575 -0.788736 -0.086756
H -0.868649 -1.433859 -1.586135
H 0.508636 2.532586 -1.834546
H 1.008469 4.036298 -1.055533
H -1.439350 3.792768 -0.937817
H -0.757437 3.786201 0.691878
H -0.595485 -3.819700 -0.318592
H -0.546740 -2.805595 1.132212
H -0.996217 1.357183 0.899196
H -1.331780 1.168226 -0.830513
H -3.512435 2.268950 -0.637541
H -3.184180 2.805691 1.020305
H -2.839350 -2.769758 -0.970088
H -2.901247 -3.531747 0.675404
H -4.697868 0.787483 0.954829
H -3.215631 0.485515 1.879691


%chk=000106767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106767

0 1
O 4.100278 -1.202427 1.172684
O -2.694208 -1.422974 0.839656
O -3.812257 -0.599649 -1.046354
C 3.745706 -0.208262 0.080621
C 2.698813 -1.159076 0.586736
C 3.838024 1.259354 0.467752
C 2.303220 -2.396457 -0.205413
C 2.972815 2.193714 -0.423585
C 1.244018 -2.142780 -1.311092
C 1.494029 2.249055 0.022619
C -0.180774 -1.777670 -0.825131
C 0.580216 3.048309 -0.934183
C -0.860483 3.244629 -0.395185
C -0.862215 -2.883400 0.015928
C -1.544334 1.920018 0.012559
C -3.051686 2.058709 0.317434
C -2.382111 -2.706456 0.135497
C -3.637854 0.786810 0.990433
C -3.420424 -0.450516 0.134474
H 4.207473 -0.467959 -0.885830
H 1.962023 -0.763000 1.300642
H 4.903034 1.557964 0.409698
H 3.537950 1.367288 1.528345
H 1.951304 -3.179373 0.494296
H 3.224593 -2.791975 -0.674672
H 3.031765 1.863536 -1.482047
H 3.395681 3.217770 -0.398287
H 1.175484 -3.056349 -1.936567
H 1.612775 -1.337219 -1.978186
H 1.443102 2.694608 1.038663
H 1.108753 1.215858 0.116058
H -0.158092 -0.839001 -0.240196
H -0.809100 -1.571346 -1.715430
H 0.536414 2.523928 -1.911807
H 1.034514 4.041059 -1.132153
H -1.472034 3.750807 -1.169993
H -0.837388 3.926050 0.480740
H -0.689564 -3.871764 -0.460227
H -0.416270 -2.936058 1.027259
H -1.036875 1.502939 0.905676
H -1.410458 1.178373 -0.801545
H -3.606233 2.266996 -0.617301
H -3.223079 2.916998 0.997031
H -2.869296 -2.684663 -0.856216
H -2.833967 -3.495411 0.761432
H -4.728524 0.913298 1.129890
H -3.179760 0.623616 1.980376


