%chk=000216212.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216212

0 1
O 4.820193 -1.470573 0.223515
O 1.921228 0.714420 0.833259
O -1.352500 1.149810 -0.528420
O 0.657135 -0.760716 -0.338587
O -4.143049 -0.733550 -2.344522
N -1.951031 -1.209425 -1.998544
C 3.796700 -0.529468 -0.162765
C 4.503895 0.737477 -0.667884
C 5.953287 0.628966 -0.164217
C 6.079484 -0.776613 0.437452
C 2.942616 -0.295229 1.096087
C 0.816738 0.347635 0.107568
C -0.080937 1.569671 -0.015521
C -2.305682 0.684522 0.374878
C -3.249320 -0.193175 -0.189016
C -2.383734 1.106075 1.706820
C -4.325215 -0.605728 0.609025
C -3.453991 0.656889 2.485497
C -4.424634 -0.189350 1.940073
C -3.176640 -0.694315 -1.598269
H 3.214795 -1.061524 -0.946641
H 4.472887 0.788175 -1.770627
H 4.009058 1.653919 -0.300789
H 6.671729 0.780796 -0.988506
H 6.175675 1.407973 0.585232
H 6.254250 -0.771826 1.524733
H 6.823332 -1.414738 -0.066701
H 3.509776 0.171214 1.920625
H 2.460639 -1.228059 1.437493
H 0.287681 2.251996 -0.813169
H -0.165760 2.126782 0.937183
H -1.641268 1.778536 2.127309
H -5.086882 -1.260865 0.174034
H -3.532786 0.976121 3.525706
H -5.261383 -0.524620 2.550579
H -1.830810 -1.521939 -2.949248
H -1.104075 -1.094564 -1.449442


%chk=000216212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216212

0 1
O 5.421688 -0.996679 -0.799809
O 2.271920 -0.154495 1.070632
O -1.247866 -0.284816 0.323284
O 1.031783 -1.568177 -0.326798
O -4.674125 -1.852569 -1.599354
N -2.380292 -2.036243 -1.331128
C 4.207496 -0.185783 -0.509057
C 4.700513 1.258102 -0.251251
C 6.153059 1.051721 0.254450
C 6.625401 -0.143247 -0.596698
C 3.546166 -0.856055 0.710014
C 1.103581 -0.618296 0.476660
C -0.064630 0.223968 0.986672
C -2.507305 0.288640 0.597517
C -3.625209 -0.281879 -0.080133
C -2.665873 1.373079 1.492260
C -4.900791 0.279969 0.173667
C -3.952714 1.906806 1.721561
C -5.075574 1.361036 1.061111
C -3.594191 -1.445550 -1.057878
H 3.533087 -0.258631 -1.381473
H 4.702888 1.830155 -1.196397
H 4.060124 1.789222 0.473349
H 6.782234 1.946206 0.111967
H 6.160323 0.793428 1.328949
H 7.390963 -0.769200 -0.108538
H 6.998513 0.188357 -1.586261
H 4.172557 -0.763923 1.610774
H 3.332316 -1.914983 0.489286
H 0.116791 1.289954 0.743615
H -0.136522 0.122415 2.088083
H -1.804843 1.806202 2.010292
H -5.743754 -0.173724 -0.358527
H -4.070792 2.746640 2.415119
H -6.074346 1.772979 1.236395
H -2.383217 -2.816733 -1.986819
H -1.507958 -1.713195 -0.901336


