%chk=000217853.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217853

0 1
O -2.892908 -0.812940 2.357883
O 5.350200 -1.772354 0.537515
O 6.345347 0.441324 -0.967544
O -3.517291 1.755195 0.306822
O -2.074261 3.416113 -0.082958
N 0.120631 1.422608 -0.019892
N -3.227068 -1.691721 0.275235
N -5.559746 -1.239611 -1.388799
C 0.843496 0.251788 0.178736
C 0.746706 2.691943 -0.444916
C -4.565197 -2.216645 0.669242
C -3.104006 -1.520429 -1.195824
C 1.959085 2.405656 -1.343814
C -1.335915 -0.161563 0.682923
C 2.277086 0.238139 -0.084879
C -5.698765 -1.336693 0.103269
C -4.236373 -0.628457 -1.747484
C -1.234993 1.188014 0.273647
C 2.839832 1.304311 -0.815292
C -0.055222 -0.745710 0.617052
C -2.557740 -0.851159 1.184951
C 3.089605 -0.807530 0.388127
C 4.213743 1.315240 -1.080309
C -6.676068 -0.429404 -1.960885
C -2.234719 2.233446 0.154838
C 4.456952 -0.796808 0.127526
C 5.030409 0.275115 -0.617263
C 4.829199 -2.849864 1.354228
C 7.305721 -0.556613 -0.533572
H 1.056548 3.256194 0.469387
H -0.005050 3.334278 -0.968398
H -4.633137 -2.262410 1.781230
H -4.649101 -3.255911 0.280379
H -3.161267 -2.534764 -1.656513
H -2.112958 -1.096876 -1.461689
H 2.535208 3.346247 -1.473681
H 1.619864 2.121882 -2.366100
H -6.677539 -1.811355 0.328129
H -5.690516 -0.345865 0.607821
H -4.116354 0.410135 -1.363056
H -4.164550 -0.582989 -2.854407
H 0.191326 -1.760357 0.861698
H 2.633874 -1.614618 0.959384
H 4.674789 2.125083 -1.646098
H -6.729912 0.609185 -1.604001
H -7.632464 -0.925717 -1.728614
H -6.582318 -0.415521 -3.058784
H -4.186595 2.495430 0.299774
H 5.735538 -3.438802 1.545479
H 4.094861 -3.433326 0.791382
H 4.413288 -2.457027 2.286760
H 7.050612 -1.532878 -0.959770
H 7.333881 -0.599471 0.560322
H 8.239833 -0.162438 -0.949697


%chk=000217853-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217853

0 1
O -2.669632 -0.906017 2.414860
O 5.349307 -2.024088 0.294655
O 6.507095 0.228226 -1.045225
O -3.402663 1.905239 0.545985
O -1.894638 3.582857 -0.013956
N 0.229521 1.482490 -0.048576
N -3.373225 -1.362763 0.239237
N -5.749891 -1.393242 -1.372075
C 0.917940 0.280966 0.092190
C 0.940144 2.751403 -0.347715
C -4.577438 -2.078606 0.707066
C -3.275171 -1.243326 -1.227352
C 2.098093 2.466311 -1.325026
C -1.286269 -0.089420 0.617923
C 2.357039 0.228282 -0.164596
C -5.843694 -1.436653 0.108762
C -4.562330 -0.615419 -1.802792
C -1.128155 1.284821 0.279511
C 2.973919 1.318199 -0.844159
C -0.011510 -0.705004 0.502205
C -2.506846 -0.790417 1.157310
C 3.140879 -0.884476 0.236662
C 4.360888 1.275333 -1.082547
C -6.994101 -0.912137 -2.001881
C -2.102189 2.361760 0.246968
C 4.525194 -0.931000 -0.027634
C 5.154459 0.177612 -0.682119
C 4.711504 -3.194984 0.903428
C 7.529511 -0.142803 -0.043255
H 1.328618 3.167440 0.602933
H 0.215092 3.469158 -0.757154
H -4.588235 -2.033959 1.808290
H -4.518331 -3.136490 0.382959
H -3.146481 -2.254487 -1.663875
H -2.397939 -0.631235 -1.489683
H 2.693544 3.387961 -1.450417
H 1.674396 2.217428 -2.319866
H -6.725332 -2.042802 0.389050
H -5.974235 -0.413936 0.545808
H -4.621778 0.451425 -1.470093
H -4.511032 -0.631266 -2.907759
H 0.204242 -1.754000 0.695705
H 2.654506 -1.711778 0.760752
H 4.870234 2.098350 -1.594905
H -7.252643 0.142338 -1.727389
H -7.837333 -1.559340 -1.700550
H -6.899108 -0.964573 -3.101509
H -4.001280 2.699107 0.575694
H 5.521865 -3.927121 1.033507
H 3.932002 -3.614498 0.238739
H 4.269825 -2.948303 1.888294
H 7.453434 -1.207730 0.225486
H 7.423496 0.483726 0.863184
H 8.490331 0.070940 -0.535553


