%chk=000181990.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181990

0 1
O -0.790583 0.584498 -0.343858
O 0.568488 -1.918708 0.850020
O 1.812761 3.019856 -0.020216
O 3.339319 -1.594001 -1.431084
O -0.188987 2.293996 -1.721084
O 0.754988 -2.416241 -1.348259
N -3.781618 -0.460334 -0.042873
C -2.476415 -1.115023 -0.454286
C -1.691653 -0.072867 -1.298599
C -2.758569 0.885378 -1.835744
C -3.978111 0.751243 -0.902967
C -1.837386 -1.547405 0.853834
C -3.661073 -0.171758 1.436383
C -2.484107 -0.999255 1.896702
C 0.889291 2.056516 0.485033
C 2.566181 0.274559 -0.250335
C 1.727351 0.843893 0.908009
C -0.747461 -2.557442 0.910046
C 2.634391 -1.280078 -0.223664
C -0.070789 1.685686 -0.684100
C 0.035963 2.664217 1.616766
C 3.973134 0.873463 -0.260640
C 1.222679 -1.913201 -0.352746
C 3.360855 -1.900664 0.960012
C 0.894308 3.227418 2.742165
H -2.725980 -1.992041 -1.101003
H -1.037499 -0.519760 -2.072151
H -3.022290 0.617346 -2.875840
H -2.388219 1.926447 -1.890580
H -4.138045 1.673122 -0.312201
H -4.908488 0.574840 -1.485455
H -4.608642 -0.507192 1.910878
H -3.524632 0.900892 1.677901
H -2.268009 -1.111146 2.945275
H 2.089811 0.541444 -1.233370
H 1.037651 0.075928 1.330124
H 2.393042 1.143036 1.743386
H -0.692974 -3.071911 1.890191
H -0.826891 -3.304112 0.092999
H -0.658473 1.890435 2.005178
H -0.605352 3.469703 1.205224
H 4.563736 0.464901 -1.092860
H 3.910565 1.965288 -0.392012
H 4.522546 0.682729 0.665157
H 4.395959 -1.531976 1.008613
H 2.867917 -1.655329 1.909554
H 3.419489 -2.992395 0.883830
H 1.359728 3.699632 -0.573812
H 1.350272 2.435141 3.346574
H 1.713786 3.842020 2.338965
H 0.304294 3.858926 3.415477
H 3.076442 -2.465117 -1.802355


%chk=000181990-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181990

0 1
O -0.896447 0.665756 -0.274738
O 0.543581 -2.145936 0.809493
O 1.817869 3.126581 -0.236235
O 3.515035 -1.862594 -1.159224
O 0.079821 1.979297 -1.937905
O 0.782721 -1.947343 -1.496971
N -3.785916 -0.397435 0.030549
C -2.576024 -1.102976 -0.523200
C -1.784663 -0.008728 -1.285776
C -2.900592 0.949417 -1.744974
C -3.874644 0.973700 -0.539688
C -1.957948 -1.789304 0.690987
C -3.818168 -0.541499 1.510839
C -2.671027 -1.484860 1.808738
C 0.932998 2.124783 0.373581
C 2.679352 0.262532 -0.163791
C 1.780160 0.936604 0.917637
C -0.828235 -2.775531 0.628902
C 2.686351 -1.312056 -0.066872
C -0.000305 1.600768 -0.739275
C 0.086973 2.815402 1.484893
C 4.116688 0.828786 -0.130151
C 1.248973 -1.826396 -0.332812
C 3.295890 -1.853895 1.231539
C 0.949470 3.512578 2.556889
H -2.862397 -1.861983 -1.284599
H -1.140000 -0.392331 -2.092309
H -3.391238 0.508006 -2.632326
H -2.518003 1.941743 -2.026887
H -3.547725 1.737833 0.203794
H -4.905127 1.224423 -0.851034
H -4.785859 -0.948229 1.871293
H -3.673532 0.440938 2.023050
H -2.470139 -1.875948 2.811376
H 2.263892 0.487944 -1.169909
H 1.080111 0.214650 1.377232
H 2.423351 1.329069 1.724666
H -0.866985 -3.480410 1.473325
H -0.812105 -3.319462 -0.332646
H -0.579827 2.061658 1.944589
H -0.557712 3.571268 0.994823
H 4.754504 0.334481 -0.882387
H 4.075884 1.912225 -0.333647
H 4.581665 0.691581 0.863736
H 4.361834 -1.577250 1.268743
H 2.782761 -1.447606 2.117793
H 3.225490 -2.953559 1.258488
H 1.569583 3.196479 -1.200539
H 1.506098 2.788043 3.177870
H 1.677142 4.188083 2.076252
H 0.311026 4.109232 3.233391
H 2.988097 -1.783929 -2.000372


