%chk=000251516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251516

0 1
O 3.373063 1.145223 -1.310998
O 3.759289 -2.148005 -1.325649
O 4.825535 -0.534971 1.391006
O 5.571430 2.048527 1.422283
O 1.070924 -2.779073 -0.692404
N 1.339856 0.321580 -0.493020
N -1.822770 -0.395705 1.026669
N -0.327961 1.557556 0.470689
N -1.004559 -2.550323 0.298348
C 2.594315 -0.048688 -1.200531
C 3.424434 -1.112419 -0.417385
C 4.735297 -0.392014 -0.024397
C 4.552306 1.086747 -0.456491
C 4.310910 2.046685 0.716676
C 0.346884 -0.587230 -0.092567
C 0.895172 1.595514 -0.140579
C -0.673400 0.208185 0.501679
C 0.229208 -2.042753 -0.216948
C -2.932485 0.421825 1.587084
C -1.929601 -1.793582 0.840465
C -4.026174 0.618941 0.566193
C -5.226810 -0.096687 0.669236
C -3.836594 1.525508 -0.486782
C -6.235386 0.097921 -0.279132
C -4.847245 1.713445 -1.432936
C -6.046844 1.000978 -1.330280
H 2.359251 -0.356125 -2.252135
H 2.902802 -1.524159 0.478309
H 5.622348 -0.870748 -0.496663
H 5.370494 1.448315 -1.117221
H 3.514931 1.683216 1.393608
H 4.082682 3.067090 0.363306
H 1.456757 2.500399 -0.346623
H 3.033129 -2.843347 -1.311066
H 5.539762 0.062006 1.750350
H -2.521845 1.413557 1.912002
H -3.310675 -0.072561 2.510939
H 5.520343 2.650123 2.193649
H -2.862420 -2.257510 1.207546
H -5.382794 -0.800248 1.484370
H -2.898768 2.080178 -0.566234
H -7.169358 -0.456815 -0.199137
H -4.699313 2.416372 -2.252076
H -6.833318 1.149074 -2.068952


%chk=000251516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251516

0 1
O 3.133201 1.292547 -0.838160
O 3.766976 -2.125936 -0.772929
O 4.613910 0.246862 1.760992
O 6.411898 2.017819 0.646921
O 1.119975 -2.846278 -0.894685
N 1.157229 0.203284 -0.137641
N -2.062243 -0.840104 0.922551
N -0.630733 1.200728 0.876463
N -1.080146 -2.845219 -0.036338
C 2.478186 -0.007413 -0.765351
C 3.413162 -0.983397 0.040827
C 4.676017 -0.153716 0.354293
C 4.588150 1.062566 -0.607027
C 5.144101 2.370961 -0.032616
C 0.178746 -0.794957 -0.000756
C 0.634025 1.366889 0.399975
C -0.902122 -0.135729 0.624313
C 0.153324 -2.204154 -0.357069
C -3.237278 -0.165727 1.558127
C -2.069591 -2.180996 0.548097
C -4.224920 0.402119 0.545576
C -5.423689 -0.290415 0.244790
C -3.951193 1.633001 -0.104881
C -6.335750 0.232498 -0.699873
C -4.861740 2.154425 -1.049698
C -6.054973 1.455710 -1.350425
H 2.318882 -0.421440 -1.780567
H 2.933899 -1.273722 0.996235
H 5.577808 -0.756767 0.145428
H 5.065380 0.803887 -1.572246
H 4.414309 2.775351 0.694261
H 5.321408 3.109083 -0.836641
H 1.194192 2.295211 0.414771
H 2.905118 -2.621555 -0.939935
H 5.432815 0.793128 1.923438
H -2.822088 0.634409 2.193951
H -3.725134 -0.913740 2.207328
H 6.928851 2.835699 0.848036
H -2.996582 -2.719555 0.776788
H -5.650030 -1.237189 0.751834
H -3.024343 2.168898 0.131703
H -7.261053 -0.309174 -0.924746
H -4.644033 3.105417 -1.548246
H -6.761121 1.862692 -2.082666


