%chk=000297836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297836

0 1
O -1.779301 2.185500 0.265166
O -2.921847 2.392669 -1.679017
O -0.941452 -1.888579 -1.598443
O 3.247863 -2.444787 -1.802181
O 3.074475 -0.928039 -0.085304
N -1.476109 -0.401327 0.050573
N 1.468574 -2.606266 -0.420042
C -3.994080 -0.171029 -0.052911
C -2.614323 0.164404 -0.696463
C -4.252845 -1.687363 -0.156348
C -4.089732 0.327898 1.388497
C -2.478873 1.686593 -0.806757
C -5.726234 -2.032644 0.036383
C -0.703370 -1.418396 -0.498230
C 0.437687 -1.926448 0.388611
C -1.608325 3.637129 0.361228
C -2.783566 4.217842 1.093867
C -3.980570 4.465964 0.405004
C -2.689904 4.512695 2.461053
C 2.630495 -1.869972 -0.711369
C -5.073925 5.012067 1.080841
C -3.786670 5.061440 3.132492
C -4.977835 5.312024 2.444168
C 4.608552 -1.989727 -2.101334
C 5.595581 -2.742870 -1.257070
C 5.851921 -2.323735 0.057236
C 6.263350 -3.860328 -1.777126
C 6.779247 -3.013882 0.841031
C 7.192370 -4.546467 -0.989162
C 7.452262 -4.123577 0.318180
H -4.767738 0.363098 -0.666126
H -2.596024 -0.248492 -1.754424
H -3.912489 -2.062041 -1.144643
H -3.638091 -2.227995 0.589131
H -3.475330 -0.264092 2.074716
H -5.122627 0.268182 1.753405
H -3.773842 1.376538 1.484432
H -1.282372 0.019036 0.957533
H -5.890480 -3.113363 -0.052230
H -6.360095 -1.545612 -0.713995
H -6.090699 -1.726832 1.023760
H 0.904378 -1.108278 0.993811
H 0.031098 -2.668996 1.120004
H -0.654290 3.707540 0.915938
H -1.488768 4.056395 -0.656737
H 1.097964 -3.219197 -1.160877
H -4.053410 4.223875 -0.659621
H -1.766442 4.315761 3.003017
H -6.001746 5.205452 0.544172
H -3.711969 5.293663 4.193600
H 4.668668 -2.230022 -3.180178
H 4.663043 -0.894404 -1.948802
H -5.830253 5.740659 2.968663
H 5.313025 -1.463515 0.466243
H 6.057351 -4.199537 -2.791012
H 6.976430 -2.687617 1.860875
H 7.711478 -5.413221 -1.394356
H 8.176012 -4.659173 0.929925


%chk=000297836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297836

0 1
O -2.416520 2.797786 -0.438170
O -4.360930 2.147894 -1.559463
O -0.602135 -1.111556 -2.109290
O 3.945283 -1.915023 -2.023318
O 3.894922 -0.433126 -0.175319
N -1.308743 0.419822 -0.497099
N 1.971903 -0.985162 -1.386605
C -3.669286 -0.419691 -0.021328
C -2.712115 0.434762 -0.932437
C -3.285984 -1.920187 -0.111192
C -3.691206 0.104066 1.433233
C -3.260767 1.860745 -1.037727
C -4.314758 -2.861137 0.552163
C -0.349287 -0.327146 -1.141879
C 1.080483 -0.145042 -0.601703
C -2.897947 4.235799 -0.425087
C -3.660346 4.542119 0.843107
C -5.056551 4.295557 0.919148
C -2.989078 5.078188 1.971517
C 3.309506 -1.055564 -1.106772
C -5.765026 4.575870 2.108061
C -3.697630 5.359327 3.160808
C -5.087727 5.107637 3.231014
C 5.409208 -2.138085 -1.781505
C 5.654209 -3.333614 -0.885146
C 5.653635 -3.183954 0.526464
C 5.888135 -4.615657 -1.443519
C 5.878147 -4.300423 1.361802
C 6.114178 -5.733164 -0.608915
C 6.109765 -5.577043 0.796783
H -4.679766 -0.291115 -0.461534
H -2.736650 -0.008024 -1.946839
H -3.170917 -2.197967 -1.176914
H -2.290700 -2.070247 0.352633
H -2.704894 -0.028406 1.917586
H -4.432562 -0.449689 2.034283
H -3.960950 1.174994 1.486824
H -1.031075 1.113392 0.200916
H -4.026747 -3.917575 0.402572
H -5.321794 -2.722438 0.114783
H -4.392241 -2.690850 1.641255
H 1.376814 0.921895 -0.665730
H 1.119744 -0.419160 0.471783
H -1.959040 4.806091 -0.495838
H -3.515046 4.382097 -1.327635
H 1.547159 -1.531890 -2.143687
H -5.574554 3.878951 0.047871
H -1.911484 5.276952 1.917419
H -6.842610 4.384963 2.158325
H -3.171222 5.776341 4.026362
H 5.806374 -2.299849 -2.796136
H 5.823994 -1.212579 -1.345701
H -5.639213 5.327816 4.151898
H 5.463003 -2.193360 0.954856
H 5.889227 -4.737942 -2.533805
H 5.876184 -4.176086 2.450615
H 6.294900 -6.719496 -1.050918
H 6.286922 -6.442218 1.445928


