%chk=000187548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187548

0 1
O -1.625962 -1.515201 -0.012947
O -2.734895 0.509049 0.302824
O 0.934927 3.809042 0.949534
O 2.333853 -2.321759 0.130007
N 0.743905 -0.231819 0.556829
N 2.025278 1.814737 0.648795
N 3.179483 -0.203103 0.335047
C -1.725185 -0.352009 0.808956
C -0.447241 0.500385 0.735000
C -1.978639 -0.884901 2.209484
C -0.426117 1.845774 0.870166
C -1.582561 -1.309503 -1.458419
C -4.103152 -0.003524 0.328839
C 1.950590 0.504622 0.518957
C 0.836542 2.610641 0.835032
C -2.444658 -2.411408 -2.043898
C -4.822072 0.826450 -0.716493
C 3.314717 -1.601429 0.146052
C 4.724872 -2.066292 -0.022915
H -1.070141 -1.313836 2.653536
H -2.726659 -1.690214 2.200184
H -2.334857 -0.086672 2.873972
H 0.712687 -1.264605 0.425795
H -1.345849 2.422159 0.993744
H -1.951336 -0.297729 -1.706722
H -0.519088 -1.411398 -1.736941
H -4.092663 -1.082004 0.092604
H -4.488282 0.166837 1.348717
H -2.296692 -2.502012 -3.125979
H -2.198177 -3.381905 -1.588353
H -3.511260 -2.236534 -1.859654
H -5.905625 0.669795 -0.678081
H -4.629933 1.899491 -0.564402
H -4.476139 0.589982 -1.730666
H 4.013667 0.406920 0.340764
H 4.748914 -3.162303 -0.163991
H 5.352760 -1.846253 0.854172
H 5.216584 -1.622771 -0.902251


%chk=000187548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187548

0 1
O -1.729605 -1.477320 -0.047672
O -2.870432 0.636589 0.317784
O 1.037520 3.854897 0.766817
O 2.029293 -2.469452 0.081397
N 0.641011 -0.211707 0.511181
N 2.047094 1.741549 0.535093
N 3.018636 -0.366054 0.286767
C -1.814280 -0.253527 0.769992
C -0.519140 0.559104 0.640731
C -2.001190 -0.767874 2.210354
C -0.417751 1.926425 0.718247
C -1.669443 -1.257277 -1.519130
C -4.255633 0.134961 0.493580
C 1.860640 0.436534 0.452939
C 0.899616 2.600948 0.680088
C -1.308103 -2.603229 -2.145207
C -5.158278 1.048839 -0.333521
C 3.077538 -1.747656 0.103274
C 4.476816 -2.314311 -0.066719
H -1.109568 -1.333067 2.528289
H -2.868027 -1.446569 2.263078
H -2.148171 0.081173 2.898326
H 0.614522 -1.242522 0.390399
H -1.317318 2.536426 0.806741
H -2.651877 -0.887702 -1.868743
H -0.911866 -0.482507 -1.754093
H -4.313140 -0.917446 0.151100
H -4.529473 0.174613 1.566717
H -1.269794 -2.512975 -3.246363
H -0.323787 -2.950630 -1.785360
H -2.060390 -3.367918 -1.884869
H -6.214482 0.741248 -0.225549
H -5.063489 2.095483 0.003161
H -4.887252 1.005622 -1.402467
H 3.876353 0.194144 0.279521
H 4.404054 -3.401765 -0.207837
H 5.098886 -2.109064 0.823491
H 4.982106 -1.871284 -0.944239


