%chk=000299001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299001

0 1
O 4.651083 -0.247922 1.244622
O 0.105106 -0.587933 -2.091672
O 3.218534 1.247918 0.315501
O 0.827918 -0.811294 2.041328
O -1.774827 3.099586 -1.756886
O -4.168248 -2.379271 1.919346
O -3.899024 2.673828 -1.714690
O -5.569635 -0.998867 1.010577
N 1.378470 -0.885297 -0.164709
N -2.741227 2.442375 -1.419774
N -4.446498 -1.390402 1.265690
C 2.803965 -1.190723 0.160524
C 3.397778 -1.762355 -1.147819
C 2.432407 -1.343711 -2.264402
C 1.155795 -0.893799 -1.589402
C 3.526811 0.107973 0.552666
C 0.458249 -0.646849 0.899829
C -0.930065 -0.237980 0.527841
C -1.998210 -0.978316 1.046145
C -1.163468 0.884847 -0.279682
C 5.528109 0.818957 1.742699
C -2.487821 1.254537 -0.565036
C -3.313391 -0.594655 0.732053
C -3.575784 0.519770 -0.074499
C 6.348914 1.387070 0.606508
H 2.864843 -1.916210 1.016202
H 3.478277 -2.864544 -1.081600
H 4.425611 -1.395593 -1.327591
H 2.225007 -2.167341 -2.976529
H 2.840845 -0.513739 -2.880038
H -1.822526 -1.851180 1.693952
H -0.328941 1.473183 -0.693711
H 4.899518 1.578902 2.240477
H 6.127437 0.255249 2.481841
H -4.612266 0.812745 -0.317478
H 5.717918 1.939648 -0.106426
H 6.869201 0.601065 0.045241
H 7.108933 2.087926 0.975805


%chk=000299001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299001

0 1
O 4.637593 -0.219932 1.155499
O 0.126632 -1.083163 -2.287220
O 2.801203 1.082917 0.525515
O 0.685001 -1.530378 1.911547
O -1.324665 3.023463 -1.764114
O -4.374172 -2.173750 2.096856
O -3.586984 3.005568 -1.466179
O -5.660184 -0.502718 1.222990
N 1.401398 -1.189082 -0.269743
N -2.409836 2.509521 -1.296671
N -4.529737 -1.090521 1.415668
C 2.819603 -1.370573 0.119035
C 3.505027 -1.873798 -1.188884
C 2.610647 -1.316709 -2.319143
C 1.222465 -1.178091 -1.691361
C 3.382442 -0.021663 0.609374
C 0.418145 -1.120191 0.747364
C -0.917428 -0.513756 0.428647
C -2.063644 -1.082823 1.024555
C -1.025377 0.670329 -0.336004
C 5.350588 0.996150 1.678754
C -2.295657 1.253250 -0.503284
C -3.316460 -0.475604 0.808571
C -3.465876 0.697308 0.046821
C 6.123035 1.693618 0.557983
H 2.905101 -2.095365 0.944189
H 3.494118 -2.976992 -1.199169
H 4.552697 -1.542428 -1.246783
H 2.556171 -1.959436 -3.211164
H 2.933959 -0.311873 -2.652467
H -1.986922 -1.977371 1.648585
H -0.150232 1.155130 -0.775235
H 4.599394 1.664796 2.133384
H 6.015650 0.583981 2.453268
H -4.444275 1.159779 -0.105017
H 5.435847 2.100174 -0.202961
H 6.833032 1.001275 0.073654
H 6.700499 2.536555 0.980041


