%chk=000236071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236071

0 1
O 2.707441 -1.763495 -0.005096
O 3.353850 0.522303 -0.002910
O -0.863978 3.248740 0.005380
O -2.500145 1.846187 0.005759
N -1.305820 2.109362 0.004611
C -0.729563 -0.352586 0.001155
C -2.177667 -0.729105 0.002638
C -2.496329 -2.228791 0.002589
C -0.334992 1.003670 0.002260
C 0.270174 -1.365192 -0.001471
C 1.585125 -0.968583 -0.002627
C 1.966879 0.413832 -0.001311
C 1.035335 1.412243 0.001097
C -4.004166 -2.468665 0.005384
C 3.863831 -0.848170 -0.005274
H -2.680499 -0.245482 0.877951
H -2.682311 -0.244939 -0.871301
H -2.046896 -2.714161 -0.887144
H -2.043520 -2.714959 0.890168
H 0.007330 -2.422015 -0.002561
H 1.299846 2.475425 0.002094
H 4.414436 -1.010929 0.931045
H 4.412233 -1.008509 -0.943300
H -4.484764 -2.033031 0.889801
H -4.488611 -2.029689 -0.875277
H -4.233917 -3.540562 0.003840


%chk=000236071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236071

0 1
O 2.705288 -1.788606 -0.004710
O 3.395349 0.514412 -0.003475
O -0.776459 3.396377 0.005312
O -2.544571 1.969150 0.005926
N -1.269363 2.197291 0.004696
C -0.768995 -0.308181 0.001649
C -2.235636 -0.734002 0.003417
C -2.505984 -2.253743 0.002534
C -0.324872 1.057170 0.002292
C 0.241494 -1.316004 -0.000748
C 1.583932 -0.940235 -0.002296
C 1.984783 0.413650 -0.001563
C 1.052162 1.437631 0.000723
C -4.021533 -2.548463 0.004716
C 3.896263 -0.884450 -0.005539
H -2.740577 -0.273068 0.874372
H -2.743100 -0.271600 -0.865286
H -2.045970 -2.725478 -0.889105
H -2.043091 -2.727064 0.891840
H -0.027878 -2.372476 -0.001370
H 1.321037 2.494578 0.001356
H 4.476583 -1.064476 0.914675
H 4.473942 -1.062698 -0.927757
H -4.509442 -2.116463 0.898091
H -4.512355 -2.114658 -0.886186
H -4.217707 -3.635695 0.003937


