%chk=000227636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227636

0 1
O -2.289560 -1.121973 -0.000656
O -4.432316 -0.656804 -0.000827
C 3.232476 0.284064 0.000417
C 1.747474 -0.095248 -0.000006
C 3.528445 1.114575 1.266011
C 3.528570 1.117940 -1.262941
C 4.158129 -0.946721 -0.001268
C 0.791960 0.914911 -0.000138
C 1.320947 -1.445678 -0.000064
C -0.592048 0.622590 -0.000397
C -0.023888 -1.786254 -0.000348
C -0.977494 -0.729270 -0.000503
C -1.641218 1.636314 -0.000559
C -0.496952 -3.198329 -0.000635
C -2.941243 1.243699 -0.000705
C -1.270469 3.079352 -0.000578
C -3.344910 -0.144734 -0.000651
H 4.591009 1.370479 1.333661
H 2.968211 2.053894 1.283481
H 3.265135 0.559441 2.173322
H 2.968786 2.057573 -1.277722
H 4.591237 1.373569 -1.330067
H 3.264874 0.565411 -2.171726
H 5.211719 -0.644524 -0.001094
H 4.005969 -1.571411 0.885378
H 4.005596 -1.569205 -0.889404
H 1.106468 1.958810 -0.000040
H 2.061112 -2.247870 0.000124
H 0.320189 -3.927838 0.003895
H -1.134518 -3.399412 0.876293
H -1.126692 -3.401572 -0.882672
H -3.767355 1.957181 -0.000846
H -2.146207 3.745145 -0.000903
H -0.672594 3.340024 -0.887895
H -0.673139 3.340170 0.887065


%chk=000227636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227636

0 1
O -2.351824 -1.135283 -0.001018
O -4.591078 -0.579077 -0.000837
C 3.262448 0.284121 0.000412
C 1.759224 -0.093682 -0.000062
C 3.584330 1.127114 1.271653
C 3.584858 1.128728 -1.269613
C 4.187531 -0.959805 -0.000245
C 0.776728 0.919335 -0.000017
C 1.311421 -1.445770 -0.000378
C -0.612566 0.618095 -0.000316
C -0.053936 -1.804295 -0.000715
C -1.004484 -0.752909 -0.000661
C -1.661219 1.638833 -0.000231
C -0.510732 -3.247398 -0.001296
C -2.986209 1.245875 -0.000497
C -1.295830 3.107092 0.000211
C -3.422558 -0.145359 -0.001024
H 4.651486 1.419792 1.275235
H 2.980329 2.051358 1.312988
H 3.380398 0.547556 2.190669
H 2.981117 2.053187 -1.309954
H 4.652075 1.421189 -1.272470
H 3.381101 0.550437 -2.189464
H 5.243270 -0.632283 0.000114
H 4.031553 -1.587098 0.896887
H 4.031771 -1.585960 -0.898208
H 1.081489 1.971076 0.000267
H 2.045652 -2.257114 -0.000372
H 0.352188 -3.934426 0.002184
H -1.141097 -3.465522 0.879761
H -1.134668 -3.466784 -0.886671
H -3.793931 1.983493 -0.000329
H -2.197573 3.740277 0.000137
H -0.691551 3.366970 -0.889375
H -0.692009 3.366533 0.890237


