%chk=000188572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188572

0 1
O -0.079672 -1.239675 -2.267012
O -1.471087 -1.443654 2.508754
N 1.206521 -1.025042 -0.395067
N 3.241624 0.936653 0.215461
N -1.789691 -2.018274 0.315224
C -1.788503 0.415803 -0.015782
C -3.004006 0.698426 0.817620
C -1.222249 1.690637 -0.578697
C -3.326501 2.191406 0.629690
C -2.089816 2.837495 -0.027890
C 2.464759 -0.967880 -1.188847
C 1.382945 -0.513874 0.988619
C 3.045342 0.461899 -1.195284
C 1.941799 0.923304 0.963991
C -1.249029 -0.800405 -0.221711
C -0.019183 -1.007762 -1.068083
C 3.831234 2.308244 0.222717
C -1.835979 -2.270148 1.687266
H -3.855484 0.053953 0.534267
H -2.781172 0.458300 1.883045
H -0.152693 1.815684 -0.288501
H -1.239780 1.665305 -1.686690
H -4.216510 2.317025 -0.011490
H -3.565361 2.672918 1.592148
H -1.524022 3.430489 0.711508
H -2.383836 3.535859 -0.828620
H 2.265732 -1.309201 -2.231351
H 3.190938 -1.677794 -0.732657
H 2.096730 -1.191545 1.513194
H 0.425543 -0.555255 1.562094
H 4.040280 0.447119 -1.691170
H 2.393826 1.131609 -1.796207
H 1.176062 1.616937 0.533209
H 2.137236 1.259128 2.004983
H 3.218354 3.083508 -0.259354
H 4.811656 2.278531 -0.280416
H 4.018675 2.611493 1.265827
H -2.030858 -2.727164 -0.375268
H -2.243025 -3.259452 1.951579


%chk=000188572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188572

0 1
O -0.231847 -0.294106 -2.327168
O -1.546756 -0.773222 2.840757
N 1.223214 -0.626883 -0.530953
N 3.744182 0.530655 0.232063
N -1.351610 -1.664738 0.668718
C -2.109312 0.570923 -0.037594
C -3.370486 0.607645 0.811831
C -1.996806 1.872131 -0.830742
C -4.169588 1.824163 0.271488
C -3.059940 2.805515 -0.189953
C 2.395994 -0.728218 -1.426627
C 1.567988 -0.481686 0.900164
C 3.355961 0.455298 -1.197005
C 2.550211 0.694733 1.092422
C -1.210713 -0.453175 -0.102732
C -0.046111 -0.437021 -1.072269
C 4.771176 1.558876 0.486778
C -1.523458 -1.751425 2.041784
H -3.928373 -0.347084 0.772756
H -3.086195 0.753780 1.873822
H -0.975646 2.294071 -0.826475
H -2.242594 1.666366 -1.890738
H -4.788714 1.522342 -0.595385
H -4.842409 2.258253 1.031596
H -2.630843 3.323613 0.689360
H -3.425848 3.575853 -0.891187
H 2.026866 -0.738098 -2.464942
H 2.929086 -1.673994 -1.208374
H 2.049222 -1.413861 1.255596
H 0.660282 -0.295831 1.494676
H 4.266978 0.308100 -1.806364
H 2.860154 1.398628 -1.543144
H 2.009587 1.653413 0.874631
H 2.871284 0.722170 2.150188
H 4.426352 2.598092 0.254167
H 5.665114 1.349925 -0.127861
H 5.072409 1.528519 1.549187
H -1.252746 -2.550382 0.161877
H -1.635267 -2.808741 2.376753


