%chk=000211246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211246

0 1
O -0.372999 -0.845569 1.781301
O -0.310545 -1.599792 -1.703087
O 0.077752 -2.919478 0.101365
O -4.367954 1.013417 -0.978754
N -3.970381 1.560949 1.179528
C -0.088282 -0.491879 0.423185
C -1.223110 0.460538 0.011543
C 1.272546 0.173155 0.308798
C -2.595524 -0.203488 0.133624
C -0.090712 -1.821987 -0.372971
C 1.913903 0.640696 1.462710
C 1.869821 0.351303 -0.947035
C -3.708034 0.819217 0.027028
C 3.156152 1.273505 1.361544
C 3.110032 0.986323 -1.043402
C 3.755463 1.445924 0.110053
C -0.327038 -2.766886 -2.574005
H -1.165599 1.364603 0.654498
H -1.055089 0.804546 -1.032245
H -2.732243 -0.953409 -0.677908
H -2.660165 -0.774960 1.086127
H 1.436199 0.513357 2.436609
H 1.366395 -0.006484 -1.848961
H 0.143735 -1.648322 2.053774
H 3.655545 1.633845 2.259854
H 3.574602 1.123814 -2.018899
H 4.723538 1.938945 0.032388
H -3.461931 1.445170 2.036643
H -4.700741 2.255522 1.175336
H -0.805277 -2.380203 -3.480885
H -0.907948 -3.576004 -2.118033
H 0.705588 -3.080268 -2.752820


%chk=000211246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211246

0 1
O -0.190662 -0.809178 1.950393
O -0.352680 -1.545184 -1.615523
O 0.014760 -2.884473 0.248996
O -3.477863 1.757720 -1.066972
N -4.741072 1.115155 0.767427
C -0.011118 -0.434524 0.544091
C -1.120541 0.586751 0.195064
C 1.392621 0.181217 0.308232
C -2.541971 0.041653 0.433537
C -0.118169 -1.748489 -0.272330
C 2.252089 0.397680 1.411123
C 1.813883 0.572823 -0.988579
C -3.604730 1.048151 -0.025118
C 3.520338 0.992324 1.221486
C 3.080936 1.167555 -1.174987
C 3.940316 1.378451 -0.071455
C -0.393417 -2.766146 -2.465003
H -0.947743 1.476673 0.827633
H -1.023468 0.907036 -0.855121
H -2.692934 -0.879572 -0.165840
H -2.666678 -0.232289 1.495639
H 1.906664 0.111171 2.408599
H 1.158151 0.409546 -1.850555
H 0.067559 -1.768840 2.038121
H 4.176500 1.157030 2.083727
H 3.396391 1.467389 -2.180771
H 4.923238 1.840170 -0.218381
H -4.835232 0.571384 1.623161
H -5.492932 1.746456 0.490300
H -0.626765 -2.395191 -3.471928
H -1.173252 -3.453924 -2.099089
H 0.585482 -3.272423 -2.438976


