%chk=000189915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189915

0 1
O -1.423193 2.691104 0.019859
O 3.336762 -1.445801 -0.174372
O 1.588998 -2.883634 -0.150873
O 0.640572 4.250729 -0.009349
O 2.724307 3.441780 -0.078828
N -1.073181 0.440302 -0.026390
N -0.983338 -1.843010 -0.064271
C -0.224028 -0.680217 -0.066598
C -2.419353 -0.041546 0.002198
C -2.358408 -1.474263 -0.021922
C 1.181255 -0.530596 -0.101677
C -0.571730 1.844816 -0.016639
C 0.874653 1.900432 -0.054186
C 1.694587 0.778161 -0.094104
C -3.643015 0.631176 0.045641
C -3.522873 -2.246513 -0.002703
C -4.795060 -0.151806 0.064455
C 2.002600 -1.732614 -0.143225
C -4.735878 -1.561159 0.040772
C 1.532511 3.207414 -0.050524
C 4.259500 -2.598157 -0.217245
C 5.624840 -1.950385 -0.248678
H -0.588003 -2.787180 -0.090581
H 2.791303 0.912383 -0.120965
H -3.672244 1.724834 0.063478
H -3.481698 -3.333005 -0.021092
H -5.771361 0.335379 0.098432
H -5.668618 -2.127847 0.057078
H 4.073528 -3.205277 0.685081
H 4.020539 -3.181091 -1.123096
H 6.421423 -2.703334 -0.288885
H 5.738935 -1.290916 -1.121198
H 5.795855 -1.324497 0.639038
H 1.102312 5.134239 -0.007630


%chk=000189915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189915

0 1
O -1.559882 2.731935 0.027006
O 3.367387 -1.412962 -0.175793
O 1.534563 -2.867852 -0.149407
O 0.644488 4.406657 -0.008700
O 2.746727 3.438563 -0.080540
N -1.090390 0.440717 -0.024299
N -0.975383 -1.798122 -0.064880
C -0.228765 -0.644339 -0.065691
C -2.429480 -0.042763 0.003750
C -2.344417 -1.470382 -0.022595
C 1.176440 -0.478325 -0.101203
C -0.659168 1.853656 -0.012691
C 0.800421 1.983691 -0.050840
C 1.646635 0.857293 -0.092207
C -3.671447 0.619533 0.048498
C -3.494529 -2.279264 -0.005403
C -4.826315 -0.196115 0.065702
C 2.006915 -1.683731 -0.143681
C -4.741625 -1.615354 0.039247
C 1.492368 3.298077 -0.048679
C 4.273056 -2.604232 -0.218521
C 5.699637 -2.066616 -0.251253
H -0.497182 -2.707781 -0.093185
H 2.725256 1.041501 -0.118598
H -3.719885 1.708824 0.068373
H -3.430453 -3.371273 -0.025478
H -5.811383 0.280269 0.100445
H -5.661881 -2.208633 0.053893
H 4.071452 -3.224000 0.673854
H 4.020907 -3.198859 -1.115134
H 6.411301 -2.911642 -0.284792
H 5.863913 -1.436919 -1.142247
H 5.915634 -1.464270 0.647561
H 1.217582 5.222619 -0.011512


