%chk=000197438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197438

0 1
O -0.408263 -0.599209 1.714775
O 2.242444 -1.007961 -0.665886
O 0.379365 -3.142118 -0.153652
O 0.723340 1.923330 0.548371
O 3.304548 2.306191 0.597809
O 5.290042 0.815835 -0.799100
O 4.918260 -1.388687 -1.012138
O -3.949920 -2.293237 0.201563
O -5.184318 2.696350 -0.809255
N -2.239795 -0.645816 0.272454
N -4.338953 -0.004593 -0.268412
C 0.924297 -0.374697 1.216704
C 0.885746 -0.693814 -0.298939
C -0.123726 -1.847220 -0.390950
C 1.494368 1.038823 1.366925
C -1.117963 -1.452609 0.773350
C 2.950403 0.939208 0.802008
C 3.046713 0.198760 -0.571265
C 4.462239 -0.299293 -0.823130
C -2.222665 0.755085 0.091652
C -3.594872 -1.142045 0.097664
C -3.499962 1.150378 -0.247133
C -4.017936 2.493934 -0.546030
H 1.566065 -1.096100 1.781210
H 0.529889 0.173946 -0.909260
H -0.637493 -1.937582 -1.375606
H 1.481630 1.423431 2.409060
H -1.486575 -2.336373 1.349832
H 3.634381 0.484725 1.552412
H 2.731157 0.894589 -1.391945
H 1.226463 -3.120398 0.349822
H 1.215689 2.781476 0.440679
H 4.228716 2.376039 0.235191
H -1.321998 1.344952 0.241625
H -5.336088 0.034470 -0.431610
H 6.244215 0.596482 -0.978842
H -3.269643 3.302249 -0.511950


%chk=000197438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197438

0 1
O -0.439441 -0.452974 1.847609
O 2.162973 -1.012928 -0.674153
O 0.440961 -3.070605 0.423212
O 0.864449 2.008258 0.761382
O 3.553407 2.204561 0.801713
O 5.217176 0.973356 -0.988940
O 4.762515 -1.247570 -1.530085
O -3.833697 -2.364148 0.021161
O -5.246076 2.607628 -1.220640
N -2.276244 -0.551679 0.347221
N -4.275462 -0.045622 -0.490258
C 0.940738 -0.359183 1.340394
C 0.829596 -0.698515 -0.154013
C -0.162347 -1.864822 -0.136753
C 1.618668 0.992833 1.498062
C -1.184882 -1.344753 0.927115
C 3.038930 0.840784 0.866980
C 2.976965 0.210237 -0.584385
C 4.365327 -0.160403 -1.092471
C -2.293759 0.826363 0.153681
C -3.534779 -1.144449 -0.041416
C -3.541272 1.156208 -0.371918
C -4.078169 2.449717 -0.745380
H 1.559614 -1.134198 1.836617
H 0.400277 0.159636 -0.706719
H -0.652205 -2.064267 -1.106892
H 1.735245 1.290668 2.558290
H -1.621131 -2.198566 1.472028
H 3.663618 0.196577 1.519074
H 2.551162 0.996938 -1.246773
H 1.266215 -3.275115 -0.087660
H 1.462016 2.800219 0.688570
H 4.407967 2.199464 0.289047
H -1.456494 1.463655 0.437210
H -5.231723 -0.095789 -0.839517
H 6.125494 0.748260 -1.326919
H -3.385831 3.308724 -0.586470


