%chk=000182290.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182290

0 1
O 3.813418 -0.224141 1.741320
O 6.266563 1.981648 1.743675
O 3.250382 2.756926 -0.313706
O 1.286175 -3.876284 -2.871655
O -3.539170 -2.553008 -2.991934
N 4.286375 -1.825068 0.091979
N 1.829950 -1.849228 0.691125
N 4.118798 -2.942115 -1.909865
N -0.548029 -2.184336 1.069597
N 0.463779 -2.992760 -0.939804
N -2.390979 -3.008153 -1.039867
C 4.850453 -1.097291 1.261834
C 5.509605 1.216302 0.800810
C 6.052437 -0.220913 0.899023
C 4.033718 1.138015 1.273508
C 3.035082 1.418505 0.139523
C 2.935349 -2.132113 -0.111113
C 4.967888 -2.353053 -1.066528
C 2.844881 -2.819810 -1.349592
C -3.804184 0.281544 -0.081152
C -2.908698 0.683041 0.965731
C -4.870885 1.332091 -0.282111
C -3.355894 1.981269 1.482926
C -4.518567 2.378848 0.748961
C 0.565502 -2.347274 0.191146
C -1.649606 -1.345355 0.629145
C -1.841421 -0.120149 1.311267
C 1.551353 -3.289919 -1.854185
C -3.633048 -0.910107 -0.744999
C -2.548660 -1.760086 -0.390667
C -2.848606 2.788109 2.490409
C -5.154870 3.575483 1.028090
C -3.501170 4.003103 2.769121
C -4.632143 4.389712 2.051133
C -2.742104 -3.255798 -2.404438
C -2.062113 -4.453143 -2.985417
H 5.014975 -1.816254 2.101224
H 5.607315 1.662446 -0.211533
H 6.572441 -0.524691 -0.025465
H 6.824890 -0.259515 1.702130
H 3.854188 1.760228 2.175946
H 1.991348 1.262201 0.457625
H 3.230773 0.796421 -0.758511
H 6.037264 -2.270757 -1.180969
H 6.291373 2.926856 1.483203
H 1.950999 -1.315340 1.553626
H -5.887816 0.921607 -0.127206
H -4.854027 1.740133 -1.312239
H 2.724901 3.391811 0.217250
H -1.158584 0.184914 2.100506
H -4.311460 -1.216589 -1.552116
H -0.296890 -2.011827 2.050870
H -1.971042 2.493144 3.057654
H -6.038110 3.887137 0.476411
H -3.115369 4.645861 3.558284
H -5.123867 5.333820 2.281209
H -1.674605 -3.633538 -0.632056
H -0.957355 -4.310751 -3.024797
H -2.393848 -4.624319 -4.020803
H -2.241851 -5.375791 -2.420635


%chk=000182290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182290

0 1
O 4.186629 -0.092471 1.653474
O 7.591224 1.070556 0.988982
O 5.504659 2.872826 -0.141686
O 1.346016 -3.510188 -3.050326
O -4.157344 -3.354644 -2.168099
N 4.376857 -1.992438 0.200179
N 1.980910 -1.349403 0.455697
N 4.187879 -3.232666 -1.720659
N -0.324436 -0.939039 0.551497
N 0.546814 -2.236186 -1.254614
N -2.125437 -2.445838 -1.370459
C 4.893024 -1.384651 1.453098
C 6.378141 0.337660 0.678672
C 6.384214 -1.029433 1.390769
C 5.105649 1.018375 1.251733
C 4.425060 1.940201 0.237603
C 3.038998 -1.983814 -0.175130
C 5.032659 -2.782705 -0.786110
C 2.921640 -2.735660 -1.353913
C -4.383813 0.233318 -0.030607
C -3.496053 0.964243 0.812105
C -5.773035 0.857866 0.016418
C -4.232835 2.076617 1.434828
C -5.587208 2.029557 0.975921
C 0.714679 -1.532154 -0.142600
C -1.689705 -0.587437 0.212453
C -2.157462 0.552558 0.918904
C 1.603488 -2.881090 -1.989401
C -3.940130 -0.879446 -0.748703
C -2.583344 -1.324123 -0.647705
C -3.817702 3.079965 2.339173
C -6.521827 2.981195 1.418484
C -4.762836 4.034795 2.781941
C -6.104219 3.987853 2.326685
C -2.887690 -3.371915 -2.088003
C -2.057229 -4.457249 -2.766217
H 4.611607 -2.021973 2.308835
H 6.263765 0.204084 -0.417587
H 7.006432 -1.779386 0.880402
H 6.770850 -0.895147 2.415439
H 5.376795 1.580468 2.164633
H 3.571021 2.480599 0.691357
H 4.072971 1.355144 -0.636792
H 6.099490 -2.984575 -0.756037
H 7.503092 1.962912 0.559801
H 2.190091 -0.641038 1.168858
H -6.533924 0.139588 0.379481
H -6.109931 1.190389 -0.984862
H 5.169652 3.556014 -0.771654
H -1.456793 1.110232 1.555045
H -4.607860 -1.465427 -1.384039
H -0.063298 -0.573323 1.470562
H -2.782358 3.124361 2.697482
H -7.561058 2.950422 1.070950
H -4.457246 4.818854 3.484148
H -6.823364 4.735240 2.680274
H -1.067309 -2.523584 -1.448716
H -1.022765 -4.143158 -2.989877
H -2.563756 -4.755703 -3.697845
H -2.015136 -5.348329 -2.111344


