%chk=000245608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245608

0 1
O 0.454799 -1.478525 1.125949
O 0.512168 -1.706965 -1.128367
O -4.849909 1.412233 2.388411
O -3.053427 0.797559 3.425828
N 2.439516 1.033491 -0.325815
N -3.742245 0.901726 2.425556
C 2.716139 -0.668842 1.399356
C 1.845568 -1.912330 1.238952
C 3.116223 -0.079935 0.072957
C -1.420822 -0.715681 -0.058464
C -0.070748 -1.330616 -0.138288
C -1.919043 -0.209977 1.148255
C 4.138984 -0.658470 -0.705514
C -3.197225 0.366282 1.158791
C -2.185483 -0.637084 -1.235113
C -3.971727 0.447749 -0.011614
C -3.457765 -0.057217 -1.206250
C 4.462186 -0.070919 -1.930011
C 2.769039 1.591752 -1.519830
C 3.773820 1.071655 -2.350569
H 2.152818 0.090292 1.996955
H 3.618206 -0.905976 1.999655
H 1.812766 -2.526931 2.157035
H 2.116559 -2.528553 0.361453
H -1.319789 -0.262746 2.069874
H 4.658908 -1.548028 -0.362342
H -1.772964 -1.031798 -2.171249
H -4.967154 0.906681 0.027663
H -4.049468 0.002423 -2.121276
H 5.245216 -0.500970 -2.554659
H 2.199203 2.484298 -1.803145
H 4.006550 1.545520 -3.299987


%chk=000245608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245608

0 1
O 0.530130 -1.444734 1.240966
O 0.510995 -1.939002 -1.045497
O -4.880768 1.675515 2.157621
O -3.046345 1.039091 3.352849
N 2.356154 0.939132 -0.124445
N -3.728984 1.100667 2.260322
C 2.935301 -0.850242 1.459160
C 1.903972 -1.997838 1.386154
C 3.153836 -0.146347 0.131653
C -1.363258 -0.751219 -0.036869
C -0.028818 -1.428595 -0.034306
C -1.895893 -0.151036 1.126988
C 4.118843 -0.606874 -0.800797
C -3.157060 0.469001 1.040774
C -2.091511 -0.715630 -1.253975
C -3.900613 0.515830 -0.159470
C -3.352803 -0.085081 -1.312028
C 4.263493 0.062905 -2.034536
C 2.505960 1.576038 -1.322510
C 3.439730 1.179288 -2.305846
H 2.589232 -0.114780 2.205771
H 3.885747 -1.287950 1.820739
H 1.873855 -2.554860 2.336694
H 2.106604 -2.680903 0.542523
H -1.344731 -0.162339 2.069156
H 4.741728 -1.475840 -0.561408
H -1.648540 -1.185835 -2.137900
H -4.874479 1.012309 -0.169689
H -3.909906 -0.061286 -2.253592
H 5.002277 -0.277007 -2.768222
H 1.848926 2.438085 -1.487370
H 3.517826 1.729636 -3.248714


