%chk=000180954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180954

0 1
O -0.907053 -2.837960 -1.856256
O 0.191184 -0.975471 -2.087741
N -0.102875 -1.836819 -0.037940
N -0.310394 -1.863186 -1.422403
C 0.294166 -0.552913 0.650204
C -0.840967 0.455576 0.602108
C 1.638548 -0.034924 0.164337
C -1.144567 1.160469 -0.571153
C 1.910016 1.340676 0.162021
C -1.608883 0.668287 1.756866
C 2.652969 -0.938230 -0.191866
C -1.002041 -2.709677 0.771819
C -2.210145 2.063624 -0.590667
C 3.173492 1.806802 -0.213832
C -2.672465 1.574901 1.734404
C 3.912233 -0.467222 -0.570484
C -2.976208 2.272008 0.560775
C 4.175991 0.906237 -0.583680
H 0.469560 -0.856784 1.728838
H -0.540800 1.003126 -1.472531
H 1.142255 2.058483 0.451044
H -1.378972 0.134938 2.677617
H 2.461011 -2.011168 -0.185546
H -1.312139 -3.602269 0.190904
H -1.912946 -2.185567 1.105293
H -0.438612 -3.068482 1.649416
H -2.442919 2.605533 -1.506997
H 3.373603 2.877128 -0.219658
H -3.264896 1.738384 2.633329
H 4.689443 -1.173605 -0.858459
H -3.806601 2.976227 0.543677
H 5.156814 1.271278 -0.881641


%chk=000180954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180954

0 1
O -1.107949 -3.022265 -1.646234
O -0.156708 -0.975851 -2.077905
N -0.166821 -1.808304 0.078957
N -0.502428 -1.934888 -1.286576
C 0.248499 -0.466555 0.615296
C -0.894721 0.559065 0.537770
C 1.625439 -0.009396 0.107286
C -1.091784 1.403894 -0.585210
C 2.032470 1.333985 0.301248
C -1.805092 0.637014 1.622989
C 2.553330 -0.933379 -0.430132
C -0.693460 -2.854035 0.973830
C -2.185876 2.295398 -0.619000
C 3.337090 1.747160 -0.049270
C -2.900068 1.528520 1.589478
C 3.855802 -0.520834 -0.785086
C -3.094838 2.359784 0.462856
C 4.254619 0.822289 -0.596364
H 0.382565 -0.691956 1.692880
H -0.394410 1.353955 -1.425115
H 1.330418 2.060917 0.724295
H -1.652862 0.001619 2.505864
H 2.254161 -1.976545 -0.579382
H -0.559403 -3.840109 0.505105
H -1.771119 -2.714551 1.186623
H -0.120929 -2.812742 1.914275
H -2.331007 2.938380 -1.494053
H 3.634870 2.790451 0.104578
H -3.591775 1.578337 2.437607
H 4.557107 -1.246453 -1.212076
H -3.942394 3.053468 0.430280
H 5.265076 1.143027 -0.873016


