%chk=000185515.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185515

0 1
O -0.622964 0.306432 1.651160
O -0.678085 -3.027319 -1.656955
O -4.373914 1.001251 1.129963
O -0.390554 -4.019157 0.332529
O -3.955952 -0.946545 0.109662
N -0.451440 -0.602457 -0.433855
N -0.789669 2.097892 -1.305019
C -1.623230 1.593452 -0.172506
C 0.413934 -1.705268 0.015932
C -2.967223 1.111898 -0.773450
C -0.847638 0.391415 0.457713
C 1.812374 -1.649689 -0.634787
C -1.853930 2.643640 0.914900
C 2.505051 -0.353358 -0.313205
C -0.251307 -3.036992 -0.349713
C -3.768599 0.244267 0.152233
C 2.506260 0.694061 -1.246820
C 3.142290 -0.182220 0.925135
C 3.147035 1.898919 -0.944999
C 3.778442 1.025766 1.222017
C 3.783980 2.067367 0.288157
H 0.508889 -1.663718 1.146253
H -3.575760 1.995816 -1.069130
H -2.779421 0.545249 -1.716655
H 1.728222 -1.789346 -1.734274
H 2.420218 -2.509659 -0.279341
H -0.569995 -0.496057 -1.442917
H -0.930455 2.877785 1.461814
H -2.562963 2.274241 1.677520
H -2.269846 3.574173 0.520092
H 0.144300 2.356941 -0.984590
H -1.203521 2.926747 -1.724304
H 2.008170 0.571420 -2.207110
H 3.136066 -0.985809 1.659980
H 3.155329 2.705643 -1.675830
H 4.269493 1.156175 2.185668
H 4.284012 3.005110 0.521341
H -1.163581 -3.860090 -1.907590
H -4.897317 0.447021 1.772481


%chk=000185515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185515

0 1
O -1.035014 0.067566 1.575754
O -1.229643 -2.698329 -1.564096
O -4.416317 1.095315 1.592420
O 0.235409 -4.018608 -0.337957
O -4.091375 -1.039845 0.742318
N -0.282278 -0.386971 -0.591911
N -1.307695 1.808337 -1.639922
C -1.858388 1.475246 -0.290310
C 0.482405 -1.567914 -0.231040
C -3.301669 0.910610 -0.548577
C -1.007976 0.324271 0.332366
C 1.952259 -1.522885 -0.763822
C -1.866389 2.683781 0.674173
C 2.716141 -0.295016 -0.289851
C -0.162375 -2.885016 -0.682920
C -3.941754 0.194405 0.626874
C 3.261239 0.619851 -1.225487
C 2.911686 -0.046057 1.093573
C 3.988558 1.753953 -0.794872
C 3.635273 1.085237 1.528304
C 4.177939 1.990472 0.585572
H 0.496582 -1.603317 0.875755
H -3.950675 1.756911 -0.843131
H -3.243350 0.184085 -1.376803
H 1.934466 -1.551114 -1.870406
H 2.446771 -2.452350 -0.423989
H -0.384823 -0.056931 -1.562747
H -0.841753 3.085175 0.785321
H -2.226871 2.388855 1.670742
H -2.520726 3.482302 0.278947
H -0.482562 2.419508 -1.578846
H -2.009078 2.210947 -2.273220
H 3.122115 0.439305 -2.298985
H 2.494201 -0.735876 1.837207
H 4.408106 2.446543 -1.533623
H 3.775599 1.261454 2.600609
H 4.742032 2.866929 0.923743
H -1.623684 -3.584157 -1.791717
H -4.779686 0.578325 2.362054


