%chk=000292446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292446

0 1
O -5.006307 1.275373 -0.802479
O -4.401031 -2.231219 0.048184
O 2.385572 2.332375 -0.943204
O 3.632610 -2.823017 0.585840
O -2.330717 1.721845 0.154818
N -2.978316 -0.090350 1.392900
C -5.110974 0.117594 0.018911
C -4.395657 0.331457 1.372831
C -4.573915 -1.082240 -0.792892
C 1.699861 0.156149 -0.083717
C -2.019297 0.670098 0.707993
C 2.716027 1.064105 -0.471336
C 0.298215 0.594687 -0.084435
C 2.070764 -1.144180 0.261007
C -0.632909 0.144692 0.768565
C 3.432766 -1.510121 0.216561
C 4.063859 0.695703 -0.504964
C 4.434104 -0.607716 -0.163394
C 2.107486 3.303408 0.099195
C 4.987340 -3.333248 0.559241
H -6.211527 0.028016 0.178565
H -4.927522 -0.221740 2.177397
H -4.453928 1.419458 1.630013
H -3.557644 -0.892775 -1.187072
H -5.239742 -1.321519 -1.639000
H -2.838225 -1.096248 1.515679
H 0.053280 1.356474 -0.845156
H 1.331121 -1.890004 0.549735
H -0.414363 -0.589333 1.544416
H 4.811219 1.426892 -0.813342
H -4.083509 1.668321 -0.751688
H 5.479217 -0.898990 -0.199252
H -5.267928 -2.619529 0.277361
H 1.855445 4.197553 -0.484272
H 1.258499 2.982014 0.709476
H 3.001111 3.464085 0.707087
H 4.839255 -4.372786 0.881583
H 5.613667 -2.788488 1.271173
H 5.389996 -3.293196 -0.456928


%chk=000292446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292446

0 1
O -4.978929 1.498596 -0.629497
O -5.211092 -2.245243 -0.171478
O 2.335425 2.306211 -1.055837
O 3.879284 -2.788467 0.807060
O -2.342849 1.555509 0.034456
N -3.017575 -0.315244 1.239565
C -5.229328 0.246864 0.076674
C -4.416363 0.130318 1.397439
C -4.981056 -0.955749 -0.860549
C 1.764332 0.136496 -0.015613
C -2.049030 0.444167 0.611842
C 2.735633 1.044281 -0.550991
C 0.355068 0.544848 0.027071
C 2.213486 -1.135399 0.424416
C -0.670720 -0.101991 0.658330
C 3.574271 -1.500277 0.338446
C 4.090498 0.673959 -0.642523
C 4.524836 -0.595665 -0.203368
C 2.260751 3.381414 -0.045694
C 5.275326 -3.224615 0.728612
H -6.302373 0.280488 0.357541
H -4.905011 -0.597636 2.065947
H -4.428289 1.124269 1.883953
H -3.925424 -0.985047 -1.174608
H -5.613829 -0.852523 -1.763231
H -2.783180 -1.260368 1.547561
H 0.100097 1.468257 -0.510429
H 1.510742 -1.876296 0.817650
H -0.507632 -1.025951 1.229133
H 4.799340 1.385861 -1.077411
H -3.996677 1.713889 -0.519327
H 5.580680 -0.866313 -0.293299
H -6.185452 -2.372756 -0.051012
H 1.940438 4.280711 -0.592943
H 1.521092 3.138571 0.742001
H 3.251762 3.552005 0.418682
H 5.280806 -4.243191 1.143121
H 5.936175 -2.572997 1.333111
H 5.632672 -3.247384 -0.319403


