%chk=000214568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214568

1 1
O -0.459599 -1.837750 -0.332320
O -2.680747 -0.498965 -0.643972
O -2.709981 1.763030 -0.346791
N 1.495064 -0.652296 -0.140141
N 1.467219 1.713625 0.035964
C 2.213209 -2.001775 -0.239534
C 3.586340 -1.922184 0.431436
C 4.396505 -0.745374 -0.099833
C 3.672266 0.579071 0.169233
C 2.180297 0.504743 0.000600
C 2.273027 -2.407167 -1.705212
C -0.018139 -0.732647 -0.261620
C -0.636044 0.579619 -0.254511
C 0.072216 1.732828 -0.105813
C 2.173082 3.007634 0.229773
C -2.124330 0.707703 -0.410553
C -4.150919 -0.562490 -0.815046
C -4.822078 -0.473578 0.547977
C -6.309540 -0.783028 0.429506
H 1.559332 -2.730580 0.327000
H 4.134782 -2.875954 0.255462
H 3.482025 -1.863470 1.535293
H 4.590479 -0.867781 -1.187011
H 5.402570 -0.721872 0.373594
H 4.108645 1.365783 -0.492937
H 3.897463 0.913238 1.214401
H 1.269073 -2.531715 -2.142724
H 2.824803 -1.701874 -2.337181
H 2.767733 -3.386172 -1.819061
H -0.433895 2.723327 -0.091485
H 1.460538 3.858492 0.225047
H 2.900017 3.198390 -0.584295
H 2.698852 3.039090 1.204308
H -4.238158 -1.558542 -1.290111
H -4.457999 0.238341 -1.508367
H -4.339865 -1.178182 1.256622
H -4.677919 0.540176 0.978803
H -6.494181 -1.796814 0.053041
H -6.803827 -0.711836 1.408336
H -6.825817 -0.081045 -0.237679


%chk=000214568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214568

1 1
O -0.412391 -1.934527 -0.204907
O -2.751827 -0.465428 -0.678660
O -2.645005 1.817411 -0.178654
N 1.571716 -0.650316 -0.123018
N 1.498783 1.698156 0.002699
C 2.298697 -1.991183 -0.177709
C 3.685580 -1.877893 0.476355
C 4.485033 -0.709999 -0.126419
C 3.734775 0.615810 0.113735
C 2.229245 0.524578 -0.019993
C 2.323728 -2.492051 -1.640178
C 0.065200 -0.786441 -0.194990
C -0.615935 0.507116 -0.223742
C 0.111996 1.671404 -0.111525
C 2.178989 3.022522 0.123764
C -2.111022 0.690953 -0.342929
C -4.256988 -0.409249 -0.813431
C -4.925958 -0.679557 0.539492
C -6.462816 -0.736058 0.379688
H 1.652136 -2.669378 0.405855
H 4.215174 -2.833010 0.319855
H 3.580182 -1.745184 1.570527
H 4.645238 -0.869214 -1.207108
H 5.484523 -0.641303 0.334059
H 4.110132 1.403523 -0.565284
H 3.943705 0.978970 1.142385
H 1.305158 -2.575431 -2.051305
H 2.921227 -1.836340 -2.296788
H 2.770906 -3.500706 -1.660564
H -0.417411 2.628609 -0.104074
H 1.412458 3.791751 0.291446
H 2.729675 3.263949 -0.800470
H 2.869587 3.027878 0.980556
H -4.468418 -1.203801 -1.545939
H -4.533335 0.580531 -1.217486
H -4.551399 -1.637168 0.945442
H -4.652415 0.119495 1.253181
H -6.768400 -1.540349 -0.314262
H -6.941583 -0.935106 1.353669
H -6.866440 0.219037 -0.003074


