%chk=000257487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257487

0 1
O 5.378547 1.406371 -0.003412
O -2.025826 -1.506376 0.003571
O -6.929717 -0.675540 0.001620
O -6.252806 1.461435 -0.002044
N 4.434920 -0.698100 0.000438
N -1.081870 0.599027 -0.001118
C 3.048812 -0.340134 0.000017
C 0.307479 0.234804 -0.000634
C 2.612933 0.998320 -0.002847
C 2.103874 -1.386815 0.002560
C 1.251405 1.282925 -0.003167
C 0.740807 -1.101950 0.002231
C 5.525245 0.200910 -0.001207
C -2.161632 -0.296499 0.001033
C 6.866756 -0.478368 -0.000309
C -3.503165 0.378908 -0.000189
C -4.618423 -0.355066 0.001179
C -5.952857 0.290032 0.000005
H 0.929240 2.323495 -0.005392
H 0.013443 -1.923089 0.004218
H 3.342490 1.818254 -0.004792
H 2.425120 -2.427197 0.004814
H 4.628177 -1.701000 0.002184
H -1.267689 1.604135 -0.003268
H 7.024349 -1.102198 0.889330
H 7.666984 0.282287 -0.000721
H 7.024690 -1.103465 -0.889024
H -3.531293 1.473398 -0.002193
H -4.612602 -1.456223 0.003208
H -7.849491 -0.289980 0.000908


%chk=000257487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257487

0 1
O 5.467846 1.509302 -0.004113
O -2.093715 -1.659143 0.003496
O -7.048634 -0.572581 0.001849
O -6.162744 1.585889 -0.002471
N 4.475384 -0.620630 0.000491
N -1.103853 0.482583 -0.000984
C 3.089074 -0.305166 0.000052
C 0.281198 0.168238 -0.000534
C 2.593197 1.027905 -0.002700
C 2.164374 -1.384338 0.002485
C 1.205086 1.248069 -0.002951
C 0.776063 -1.164813 0.002213
C 5.574174 0.248152 -0.001517
C -2.195780 -0.392266 0.000937
C 6.923027 -0.473850 -0.000321
C -3.509042 0.319921 -0.000309
C -4.683634 -0.369531 0.001176
C -5.982366 0.341939 -0.000074
H 0.836246 2.282508 -0.005091
H 0.073905 -1.999643 0.004076
H 3.295449 1.862419 -0.004547
H 2.533333 -2.418699 0.004644
H 4.696070 -1.619741 0.002553
H -1.325306 1.481619 -0.003000
H 7.034745 -1.112210 0.896120
H 7.724543 0.278578 -0.000789
H 7.035313 -1.113833 -0.895537
H -3.537710 1.419044 -0.002444
H -4.688379 -1.464036 0.003317
H -7.909965 -0.073385 0.000972


