%chk=000186099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186099

0 1
O -0.551452 4.910989 -0.084179
O 3.108207 1.636073 3.019390
O -3.867390 -2.686167 -0.622992
N -0.253422 2.556102 -0.367287
N 1.629189 0.718156 1.381052
N -1.908771 -1.317794 -0.573900
C 0.079916 0.111978 -0.468362
C -0.920885 1.258890 -0.047970
C 1.590140 0.315817 -0.048326
C -0.474592 -1.334963 -0.188728
C -1.320076 1.263186 1.447566
C 2.211320 1.439557 -0.938460
C -0.366108 -1.796717 1.288323
C -2.146205 1.252492 -0.960970
C 2.402301 -0.968480 -0.108144
C 0.172711 -2.338520 -1.141351
C -2.576971 2.022630 1.741795
C 3.609136 1.237130 -1.419684
C -0.456589 -3.279088 1.468368
C -3.334940 1.719958 -0.550910
C 3.606412 -1.072536 -0.688423
C 0.287835 -3.636753 -0.823117
C -3.523921 2.218698 0.810883
C 4.252697 0.064090 -1.332983
C -0.138723 -4.135750 0.484495
C -0.530475 3.737914 -0.153841
C 2.491123 1.195184 2.122018
C -2.837016 -2.126296 -0.543889
H 0.114917 0.182977 -1.596769
H -0.479678 1.644798 2.064574
H -1.478252 0.213689 1.799831
H 2.148406 2.416993 -0.407648
H 1.569624 1.595844 -1.839255
H -1.140105 -1.271720 1.899355
H 0.601072 -1.455360 1.729501
H -1.985471 0.888230 -1.973068
H 1.983006 -1.818886 0.433031
H 0.482039 -1.946585 -2.107124
H -2.685042 2.370446 2.767397
H 4.066274 2.115574 -1.878003
H -0.763358 -3.614729 2.458114
H -4.202419 1.742714 -1.210231
H 4.158384 -2.014555 -0.683134
H 0.707866 -4.365578 -1.517034
H -4.452761 2.743989 1.024129
H 5.262030 -0.079727 -1.712800
H -0.181285 -5.215593 0.615159


%chk=000186099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186099

0 1
O -0.446632 4.948855 0.039708
O 3.242859 1.821875 2.751425
O -4.114809 -2.615411 -0.733877
N -0.253945 2.531927 -0.236524
N 1.647719 0.826171 1.195223
N -2.072378 -1.342471 -0.345224
C -0.032411 0.057771 -0.494319
C -0.984707 1.246003 -0.018555
C 1.517569 0.242819 -0.173876
C -0.596938 -1.391495 -0.160978
C -1.435944 1.197586 1.471254
C 2.153103 1.196178 -1.242847
C -0.313283 -1.882390 1.311281
C -2.220060 1.327360 -0.934989
C 2.348378 -1.057927 -0.160110
C -0.111751 -2.378331 -1.235890
C -2.561943 2.165105 1.787481
C 3.662215 1.271602 -1.209804
C 0.028925 -3.349379 1.467339
C -3.358603 1.962425 -0.527398
C 3.687862 -1.045349 -0.441864
C 0.203125 -3.677754 -0.966023
C -3.484142 2.498868 0.834892
C 4.391785 0.172843 -0.851497
C 0.252927 -4.184705 0.410104
C -0.435695 3.733514 -0.057913
C 2.515617 1.319338 1.912193
C -3.050198 -2.053649 -0.540401
H -0.080682 0.114152 -1.600317
H -0.558963 1.366987 2.117354
H -1.815533 0.182695 1.692269
H 1.691797 2.190245 -1.158065
H 1.857759 0.793944 -2.238118
H -1.217670 -1.680001 1.915814
H 0.478999 -1.265398 1.776270
H -2.108157 0.968495 -1.964538
H 1.907038 -1.977154 0.225755
H -0.136306 -2.004958 -2.266867
H -2.652154 2.532699 2.816257
H 4.145381 2.198448 -1.539416
H 0.092380 -3.725188 2.496433
H -4.191382 2.095078 -1.227572
H 4.264189 -1.970519 -0.320296
H 0.453350 -4.357529 -1.788487
H -4.328928 3.154034 1.074307
H 5.486923 0.181405 -0.870623
H 0.492011 -5.240513 0.577427


