%chk=000271719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271719

0 1
O -4.069679 2.094843 1.268038
O -1.917948 2.129740 1.410342
O -5.420116 -3.437829 -1.069363
O -6.477314 -1.678313 -0.384091
N 0.680786 -0.559490 0.334796
N -0.483276 0.149740 0.566475
N -2.981011 1.576139 1.107466
N -5.456208 -2.308645 -0.606841
C 2.140786 1.354259 1.116922
C 1.848432 -0.027135 0.579806
C 3.016039 -0.910785 0.322719
C 1.737015 2.447131 0.161493
C 4.034773 -0.488296 -0.545627
C 3.105770 -2.165480 0.944576
C 5.236401 -2.561502 -0.153850
C -1.687622 -0.454091 0.282136
C 5.137082 -1.307220 -0.781650
C 4.212966 -2.982240 0.710833
C 0.721680 3.351160 0.504890
C 2.391202 2.572896 -1.073142
C -2.919137 0.242347 0.537583
C -1.759113 -1.781682 -0.264064
C 0.366151 4.371179 -0.382715
C 2.032088 3.593437 -1.956157
C -4.150855 -0.382144 0.235553
C 6.425698 -3.430931 -0.393385
C -4.176717 -1.662136 -0.295270
C -2.961300 -2.369096 -0.545806
C 1.019334 4.495237 -1.612675
H 1.647980 1.480111 2.107451
H 3.226840 1.457619 1.349298
H 3.956511 0.484746 -1.044603
H 2.308149 -2.503828 1.607111
H 5.923158 -0.974417 -1.457515
H 4.278849 -3.952943 1.200099
H 0.195932 3.269180 1.458488
H 3.181608 1.867002 -1.344956
H -0.463960 1.144038 0.907207
H -0.819041 -2.313392 -0.456384
H -0.426900 5.068896 -0.111489
H 2.541526 3.686587 -2.914465
H -5.093897 0.161909 0.429503
H 6.185060 -4.500520 -0.317825
H 6.867564 -3.274525 -1.387107
H 7.214542 -3.225099 0.346589
H -3.022006 -3.382118 -0.966266
H 0.739576 5.290463 -2.301529


%chk=000271719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271719

0 1
O -4.110102 2.085891 1.543825
O -1.832532 2.118865 1.489184
O -5.601013 -3.526691 -0.835006
O -6.656190 -1.656748 -0.049829
N 0.639718 -0.665894 0.341724
N -0.512815 0.056770 0.595611
N -2.986265 1.523140 1.265172
N -5.591326 -2.330461 -0.338989
C 1.919228 1.368133 1.092791
C 1.805420 -0.067800 0.581387
C 3.019113 -0.881666 0.328208
C 1.662597 2.442775 0.025254
C 4.314916 -0.296062 0.274954
C 2.918765 -2.290371 0.120924
C 5.357865 -2.483987 -0.173812
C -1.745704 -0.515971 0.377683
C 5.457876 -1.085200 0.027042
C 4.060899 -3.068696 -0.122809
C 0.867238 3.575916 0.331127
C 2.245019 2.341994 -1.265180
C -2.974506 0.182983 0.685041
C -1.853053 -1.837649 -0.169614
C 0.667310 4.594227 -0.628094
C 2.044267 3.359402 -2.223935
C -4.231505 -0.415646 0.448008
C 6.585642 -3.337679 -0.425993
C -4.280901 -1.705469 -0.091089
C -3.091816 -2.425643 -0.402878
C 1.257383 4.491272 -1.908048
H 1.213673 1.518362 1.934944
H 2.920892 1.513666 1.532035
H 4.445711 0.783060 0.409021
H 1.929176 -2.753834 0.163274
H 6.442711 -0.605482 -0.013557
H 3.954340 -4.150284 -0.271577
H 0.396106 3.663923 1.317290
H 2.846468 1.463983 -1.527668
H -0.534982 1.036043 0.944805
H -0.922931 -2.358164 -0.402893
H 0.044680 5.459780 -0.376954
H 2.499005 3.267896 -3.216796
H -5.148473 0.128086 0.688728
H 6.479093 -3.929487 -1.354157
H 7.496884 -2.722899 -0.517741
H 6.746978 -4.058109 0.398488
H -3.177258 -3.430505 -0.824385
H 1.099794 5.279033 -2.652919


