%chk=000229540.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229540

0 1
O -6.526548 0.699245 -0.000615
O 3.653713 -4.240058 0.001986
O -5.226155 2.429195 -0.001057
O 4.203466 -2.146931 0.001218
N 0.035970 1.557512 -0.000574
N -5.426945 1.228145 -0.000792
N 3.385478 -3.050035 0.001470
C -2.063437 -1.371739 0.000403
C -0.734347 -2.014702 0.000727
C -1.875086 0.047407 -0.000113
C 0.263155 -0.986116 0.000403
C -0.409063 0.355927 -0.000109
C -2.953583 0.911116 -0.000512
C 1.606399 -1.304311 0.000608
C -3.335749 -1.921470 0.000516
C -0.381562 -3.354915 0.001247
C -4.243274 0.332974 -0.000382
C 1.950379 -2.675926 0.001174
C -4.440445 -1.051696 0.000118
C 0.984478 -3.687147 0.001478
C 1.421923 1.909473 -0.000704
C 2.081078 2.136415 -1.221903
C 2.081820 2.134884 1.220454
C 4.075514 2.805208 -0.000939
C 3.402276 2.582163 -1.213683
C 3.402942 2.580631 1.211995
C 5.497911 3.258648 -0.000551
H -2.822870 2.002031 -0.000893
H 2.393131 -0.537485 0.000367
H -3.488322 -3.000332 0.000899
H -1.136524 -4.140798 0.001470
H -5.461294 -1.455077 0.000192
H 1.298074 -4.739094 0.001894
H 1.559833 1.977280 -2.164532
H 1.561090 1.974577 2.163166
H 3.914695 2.757683 -2.159210
H 3.916050 2.754991 2.157365
H 6.180886 2.394704 0.013570
H 5.748968 3.853659 -0.888995
H 5.740476 3.876063 0.874943


%chk=000229540-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229540

0 1
O -6.644071 0.639458 0.000345
O 3.717393 -4.266199 0.000293
O -5.290413 2.475423 -0.000222
O 4.283071 -2.056248 0.000101
N -0.009382 1.605062 -0.001085
N -5.480325 1.199537 -0.000029
N 3.414806 -3.010653 0.000469
C -2.069720 -1.371754 0.000316
C -0.731306 -1.992961 0.000434
C -1.903115 0.046654 -0.000162
C 0.260412 -0.955960 0.000111
C -0.444884 0.375164 -0.000443
C -3.001224 0.915342 -0.000248
C 1.629042 -1.269971 0.000143
C -3.359186 -1.941728 0.000660
C -0.356997 -3.351048 0.000744
C -4.283367 0.318424 0.000180
C 1.975154 -2.642525 0.000463
C -4.479857 -1.084015 0.000577
C 1.014824 -3.680937 0.000740
C 1.378128 1.950095 -0.000917
C 2.059031 2.172199 -1.225498
C 2.058071 2.174113 1.223962
C 4.115006 2.781434 -0.000419
C 3.409784 2.578717 -1.214413
C 3.408683 2.580687 1.213393
C 5.579918 3.179059 0.000239
H -2.882283 2.001442 -0.000617
H 2.414153 -0.511533 -0.000094
H -3.502587 -3.026505 0.001030
H -1.109287 -4.145569 0.000973
H -5.501725 -1.471914 0.000861
H 1.359218 -4.718263 0.000957
H 1.526516 2.034499 -2.172099
H 1.524714 2.037873 2.170302
H 3.923886 2.739038 -2.169554
H 3.921942 2.742658 2.168736
H 6.232257 2.284768 0.017405
H 5.843254 3.760205 -0.900600
H 5.834964 3.788032 0.885064


