%chk=000000954.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000954

0 1
O 0.170461 0.088459 -0.076161
O -4.783929 1.369006 1.310354
O -5.487186 0.891960 -0.854409
O 1.417034 -1.740658 0.653456
O 6.274599 -0.113555 0.218501
O 5.052528 1.535639 -0.889970
N -3.776103 -1.448725 -0.883583
C -2.235191 0.310417 -0.025396
C -3.607190 -0.408582 0.136412
C -1.086192 -0.672638 0.198449
C 2.552064 0.303174 -0.164441
C -4.724294 0.654891 0.106755
C 1.365965 -0.577815 0.190172
C 3.883213 -0.357025 0.224361
C 5.073504 0.468535 -0.217352
H -2.164195 1.143717 0.695574
H -2.161818 0.737663 -1.043696
H -3.634080 -0.880828 1.136386
H -1.051939 -1.049437 1.237551
H -1.149371 -1.533375 -0.487624
H 2.431632 1.284909 0.327842
H 2.523029 0.519034 -1.248584
H -3.914614 -1.062825 -1.825093
H -4.499365 -2.139452 -0.659294
H 3.968526 -1.365464 -0.221459
H 3.949034 -0.521250 1.315167
H -5.490630 2.068770 1.254786
H 7.039811 0.441755 -0.093604


%chk=000000954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000954

0 1
O 0.171607 0.109555 -0.061735
O -4.786690 1.244071 1.446531
O -5.493602 0.948988 -0.749154
O 1.426472 -1.787054 0.447306
O 6.235485 0.119905 0.466858
O 5.127578 0.894150 -1.419435
N -3.764345 -1.366181 -0.986347
C -2.234625 0.316980 0.027894
C -3.603278 -0.420158 0.122553
C -1.081421 -0.679382 0.146464
C 2.553436 0.311815 -0.223313
C -4.726316 0.635553 0.186067
C 1.369369 -0.583397 0.102010
C 3.857482 -0.227908 0.387418
C 5.083478 0.331238 -0.302827
H -2.164200 1.074687 0.827871
H -2.166741 0.843408 -0.943331
H -3.628774 -0.980180 1.076228
H -1.037170 -1.156144 1.143167
H -1.147924 -1.468685 -0.620289
H 2.335678 1.342009 0.105574
H 2.656441 0.362631 -1.325131
H -3.889494 -0.899031 -1.892265
H -4.493618 -2.069822 -0.832450
H 3.880197 -1.331778 0.292620
H 3.926906 -0.021557 1.469474
H -5.498857 1.940451 1.452776
H 7.028231 0.462134 -0.029433


