%chk=000207059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207059

0 1
O 2.347960 2.809402 -1.236285
O 1.565676 -1.155500 -0.627983
O -3.489887 1.970680 1.128337
O 7.677203 -3.006114 -0.351947
O -8.208392 -2.494326 0.671006
N 3.244658 0.400125 -0.373424
N -3.323532 0.077895 -0.180771
C 0.886040 1.105130 -0.486124
C -1.458373 1.642160 -0.077409
C -0.408560 0.722262 -0.090156
C 1.081103 2.447077 -0.858062
C -1.229486 2.983212 -0.441462
C 1.910250 0.012249 -0.518820
C -2.838934 1.272648 0.371469
C 0.037517 3.390962 -0.842614
C 4.377512 -0.482833 -0.377555
C -4.602183 -0.515770 0.096154
C 5.651558 0.104260 -0.279735
C 4.246631 -1.886612 -0.464503
C -4.912032 -1.722383 -0.575900
C -5.521879 0.052175 0.990234
C 6.650661 -2.083789 -0.352056
C 6.797721 -0.695900 -0.265749
C 5.378600 -2.687349 -0.452202
C -7.043958 -1.763749 0.550609
C -6.129195 -2.348208 -0.352148
C -6.750603 -0.572625 1.221379
C 9.030964 -2.506366 -0.248530
C -9.221034 -1.998786 1.578571
H -0.569900 -0.322895 0.209946
H -2.056309 3.700607 -0.400497
H 0.218265 4.422904 -1.131842
H 3.469103 1.400493 -0.315936
H -2.741177 -0.430169 -0.850396
H 5.761903 1.185245 -0.213298
H 3.251775 -2.344377 -0.542771
H -4.200272 -2.168277 -1.269708
H -5.284542 0.987291 1.512514
H 7.775113 -0.231224 -0.188820
H 5.305312 -3.772107 -0.517965
H -6.393422 -3.277097 -0.854411
H -7.453396 -0.122832 1.916385
H 2.405611 3.758157 -1.522301
H 9.614531 -3.436305 -0.270575
H 9.270670 -1.874342 -1.108124
H 9.171540 -1.979556 0.699426
H -8.835275 -1.971776 2.601685
H -10.005814 -2.759502 1.474659
H -9.579624 -1.018965 1.250702


%chk=000207059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207059

0 1
O 2.554851 2.915698 -0.441771
O 1.451131 -1.221760 -0.222325
O -3.852569 2.312552 -0.030073
O 7.771636 -3.049781 -0.660881
O -8.198534 -2.661615 0.935545
N 3.219514 0.312713 -0.419339
N -3.277280 0.060370 0.281613
C 0.900869 1.132805 -0.254524
C -1.502942 1.723871 -0.074773
C -0.463005 0.769868 -0.133832
C 1.203161 2.521764 -0.321601
C -1.162800 3.099828 -0.152138
C 1.881373 -0.022711 -0.298220
C -2.971034 1.396679 0.055649
C 0.178481 3.495349 -0.273290
C 4.340818 -0.560232 -0.478998
C -4.559558 -0.542488 0.434364
C 5.622386 0.036311 -0.599138
C 4.243103 -1.980414 -0.424220
C -4.595175 -1.947067 0.665407
C -5.779191 0.177571 0.368487
C 6.684419 -2.161515 -0.607751
C 6.791271 -0.749632 -0.663907
C 5.407495 -2.763655 -0.488644
C -7.034331 -1.895177 0.760084
C -5.816252 -2.617890 0.826806
C -7.008724 -0.498397 0.530388
C 9.110029 -2.469708 -0.780158
C -9.481285 -1.958333 0.874037
H -0.628673 -0.314609 -0.105087
H -1.974793 3.832589 -0.117894
H 0.433076 4.561743 -0.330562
H 3.419073 1.322019 -0.468436
H -2.490282 -0.586195 0.362782
H 5.710629 1.129291 -0.642130
H 3.259360 -2.442946 -0.331836
H -3.659032 -2.518007 0.717797
H -5.752331 1.254284 0.193654
H 7.762765 -0.255567 -0.756412
H 5.347351 -3.855504 -0.447486
H -5.851815 -3.696590 1.004486
H -7.935255 0.080721 0.474944
H 2.646660 3.898196 -0.485649
H 9.795784 -3.329420 -0.799595
H 9.216596 -1.887727 -1.716846
H 9.348749 -1.822770 0.086983
H -9.558587 -1.190681 1.668803
H -10.243405 -2.735163 1.033680
H -9.633630 -1.483467 -0.114999


