%chk=000296893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296893

0 1
O -0.445436 -1.039309 -0.596771
O 0.000634 -1.218724 1.622059
O 2.679606 0.576332 -3.779769
O 4.712690 -0.066064 2.908964
O 4.712805 1.073025 -3.217424
O 6.115633 0.640020 1.415216
N 3.583855 0.691737 -2.973619
N 5.023950 0.240835 1.774091
C -4.212162 -0.444187 -0.601808
C -4.897268 0.781932 0.137062
C -4.287032 0.369812 1.528299
C -2.699009 -0.213895 -0.234154
C -2.765887 0.315523 1.228408
C -4.735936 -1.650248 0.238944
C -4.767317 -1.099167 1.688749
C -4.471230 -0.567024 -2.086618
C -6.427952 0.766754 0.104596
C -4.446801 2.160029 -0.355889
C -1.842461 -1.462529 -0.393504
C 0.358931 -0.935703 0.503019
C 1.710301 -0.451921 0.097871
C 2.696020 -0.337437 1.088638
C 1.992593 -0.117840 -1.232965
C 3.280109 0.335141 -1.564452
C 3.974697 0.117381 0.729297
C 4.283913 0.458078 -0.594447
H -4.553504 1.020779 2.366706
H -2.280276 0.575067 -0.902008
H -2.301508 1.308204 1.319764
H -2.227600 -0.338394 1.935758
H -4.103664 -2.541320 0.146178
H -5.738960 -1.955657 -0.098117
H -5.777263 -1.146691 2.122140
H -4.111348 -1.671223 2.361377
H -5.545902 -0.634886 -2.298311
H -4.091618 0.302719 -2.636592
H -3.999532 -1.458356 -2.514107
H -6.838874 1.522972 0.782963
H -6.802960 0.986430 -0.901094
H -6.857548 -0.194757 0.402040
H -4.825986 2.950757 0.301630
H -3.359724 2.275358 -0.396035
H -4.827046 2.359731 -1.364009
H -2.033240 -2.002484 -1.338860
H -1.888933 -2.149607 0.469575
H 2.469795 -0.600920 2.136878
H 1.215339 -0.208991 -2.011383
H 5.293507 0.814714 -0.866090


%chk=000296893-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296893

0 1
O -0.438435 -0.880381 -0.687294
O 0.136083 -1.611808 1.463229
O 2.768664 1.266747 -3.597296
O 4.820690 -0.804858 2.941683
O 4.917180 1.615969 -2.911292
O 6.313781 0.207672 1.543199
N 3.716193 1.188285 -2.727733
N 5.143809 -0.252833 1.824078
C -4.320555 -0.511568 -0.577450
C -4.994142 0.773553 0.077053
C -4.227783 0.589677 1.436470
C -2.790152 -0.163412 -0.403239
C -2.735467 0.566871 0.989946
C -4.684662 -1.614782 0.472800
C -4.604452 -0.865882 1.852053
C -4.727223 -0.851018 -2.016018
C -6.534597 0.682656 0.207937
C -4.685657 2.106940 -0.649190
C -1.854214 -1.368692 -0.531088
C 0.431269 -1.062445 0.374763
C 1.797384 -0.522822 0.058204
C 2.797443 -0.633584 1.052388
C 2.093578 0.077198 -1.187505
C 3.398681 0.556183 -1.413834
C 4.085723 -0.138084 0.777560
C 4.420006 0.463966 -0.450014
H -4.450140 1.347429 2.207380
H -2.507316 0.535276 -1.214959
H -2.321331 1.586006 0.893827
H -2.105918 0.023492 1.717390
H -4.009644 -2.487343 0.420414
H -5.701554 -2.001596 0.278370
H -5.569748 -0.900764 2.387435
H -3.843124 -1.299311 2.525010
H -5.817977 -1.016790 -2.091346
H -4.457192 -0.039323 -2.717558
H -4.235118 -1.775625 -2.373538
H -6.912686 1.540471 0.795713
H -7.015419 0.730661 -0.787694
H -6.883693 -0.237288 0.703880
H -5.113834 2.953590 -0.080153
H -3.609550 2.308437 -0.775879
H -5.150455 2.119323 -1.653286
H -2.038261 -1.939145 -1.457356
H -1.882206 -2.036289 0.346254
H 2.567308 -1.098004 2.015762
H 1.328457 0.167190 -1.961589
H 5.426659 0.842049 -0.645291


