%chk=000250963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250963

0 1
O -0.574518 -0.268094 -0.540356
O -2.568825 2.198268 0.193574
O -2.940786 1.119271 2.027385
O -0.428756 -2.428787 -1.192441
O 1.257561 1.964905 0.559148
O 1.359209 1.514966 -1.664487
N -2.795572 1.176054 0.823399
C -2.949288 -0.138929 -0.001477
C -1.893221 -0.130034 -1.127503
C -4.349975 -0.086259 -0.611292
C -2.769761 -1.324860 0.935010
C 0.099269 -1.464438 -0.692620
C 1.470880 -1.334875 -0.134289
C 2.147860 -0.108383 -0.026025
C 2.099852 -2.516278 0.289515
C 3.434308 -0.063868 0.522666
C 3.387433 -2.468590 0.830270
C 4.051807 -1.244510 0.950016
C 1.537587 1.169424 -0.521739
C 0.564701 3.218031 0.291039
H -2.076491 -0.941671 -1.858102
H -1.825031 0.852775 -1.643081
H -4.551764 -0.983423 -1.213389
H -5.133953 -0.047170 0.158797
H -4.490847 0.786384 -1.265496
H -1.795074 -1.297146 1.445737
H -2.820781 -2.275026 0.384962
H -3.534599 -1.348438 1.724467
H 1.577173 -3.472127 0.187579
H 3.951869 0.892818 0.620553
H 3.872462 -3.388838 1.158164
H 5.055173 -1.206537 1.377437
H -0.504323 2.995158 0.164269
H 0.974310 3.705144 -0.598710
H 0.750311 3.793883 1.203219


%chk=000250963-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250963

0 1
O -0.710578 -0.763037 -0.301634
O -2.404547 2.101251 -0.094219
O -2.529630 1.190673 1.983613
O -0.000454 -2.329150 -1.884049
O 1.508158 2.182805 0.613232
O 0.791364 1.321399 -1.429157
N -2.627001 1.118157 0.709068
C -3.069432 -0.246885 0.050735
C -1.999913 -0.589608 -1.001284
C -4.415553 0.037739 -0.655481
C -3.185795 -1.314438 1.145868
C 0.259652 -1.542828 -0.946430
C 1.594646 -1.361254 -0.295751
C 2.080269 -0.082874 0.105873
C 2.366999 -2.519060 -0.043509
C 3.306923 0.003540 0.807095
C 3.597984 -2.420943 0.639908
C 4.060064 -1.159255 1.079268
C 1.383194 1.170821 -0.333081
C 0.814106 3.455579 0.278297
H -2.270921 -1.521796 -1.528828
H -1.870955 0.233955 -1.725095
H -4.758108 -0.876958 -1.170079
H -5.186169 0.324889 0.080276
H -4.312308 0.847592 -1.396599
H -2.220952 -1.471810 1.651786
H -3.500849 -2.264488 0.678178
H -3.933822 -1.027907 1.901998
H 1.986788 -3.489804 -0.377471
H 3.667249 0.987734 1.119391
H 4.187647 -3.322677 0.834951
H 5.009288 -1.078711 1.619298
H -0.267496 3.268924 0.169278
H 1.216143 3.871479 -0.660753
H 1.022211 4.115743 1.131505


