%chk=000149098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000149098

0 1
O 2.196208 0.235085 -1.073717
O 3.044743 1.965204 1.634353
O 4.888879 0.418876 0.873359
O 1.959737 -2.242578 -1.881666
O -0.078353 1.951915 1.881713
N 0.198735 0.391926 0.227150
N -1.934516 0.637091 1.393499
N -3.696019 -0.877850 1.009000
N -4.343828 -1.641855 0.004038
C 2.459601 0.714638 1.284377
C 3.623442 -0.211491 0.843124
C 1.577903 0.923629 0.015672
C 3.278775 -0.619703 -0.613217
C 2.819149 -2.077680 -0.748179
C -0.321352 -0.640329 -0.539061
C -0.631957 1.069870 1.251929
C -1.612769 -1.054223 -0.341152
C -2.415410 -0.400226 0.656941
C -4.540870 -0.025562 1.896431
C -5.192517 -0.842986 -0.932599
H 1.892959 0.311917 2.150953
H 3.752723 -1.086981 1.518064
H 1.519223 1.994117 -0.305789
H 4.110773 -0.372069 -1.311394
H 2.182372 -2.416360 0.092348
H 3.681293 -2.763168 -0.855810
H 2.360242 2.523799 2.095897
H 4.803141 1.407741 0.798468
H 0.343419 -1.108096 -1.295792
H -2.034880 -1.876740 -0.919851
H 2.289857 -1.717193 -2.645054
H -4.855849 0.917686 1.422630
H -3.947308 0.251278 2.793637
H -5.422724 -0.586569 2.234173
H -4.934574 -2.344477 0.487526
H -6.063229 -0.350674 -0.477278
H -5.549316 -1.527595 -1.721528
H -4.581405 -0.070468 -1.430195


%chk=000149098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149098

0 1
O 2.162192 0.160897 -1.115403
O 2.736547 1.480159 2.183739
O 4.655744 1.168656 0.397488
O 2.370575 -2.584674 -1.873103
O 0.089537 1.798822 2.063829
N 0.184075 0.326251 0.251206
N -1.880817 0.684606 1.443086
N -3.821313 -0.475032 0.840937
N -4.469380 -1.422967 0.001188
C 2.504177 0.371986 1.283609
C 3.846786 -0.021362 0.609780
C 1.599513 0.773173 0.073964
C 3.399794 -0.593538 -0.748517
C 3.121193 -2.110480 -0.707251
C -0.404152 -0.633044 -0.547442
C -0.549841 0.981136 1.308772
C -1.737176 -0.961322 -0.378248
C -2.467962 -0.242683 0.639883
C -4.592904 0.235662 1.878505
C -5.443710 -0.842212 -0.954418
H 2.056462 -0.496024 1.808999
H 4.402913 -0.765156 1.216342
H 1.589473 1.873202 -0.042111
H 4.136196 -0.346550 -1.534202
H 2.486722 -2.382183 0.153893
H 4.091535 -2.644120 -0.609963
H 1.810262 1.850251 2.371487
H 4.380808 1.810635 1.114073
H 0.245953 -1.096478 -1.296359
H -2.225994 -1.719197 -0.986913
H 2.811764 -2.265012 -2.700820
H -5.396063 0.847672 1.427613
H -3.896097 0.892315 2.420358
H -5.044746 -0.489824 2.582765
H -4.862475 -2.188392 0.568133
H -6.289877 -0.297944 -0.480149
H -5.855942 -1.668055 -1.559927
H -4.917474 -0.149275 -1.631825


