%chk=000183763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183763

0 1
O -2.966917 0.434724 -1.117486
N 2.944835 0.964575 1.234667
N 3.661856 0.136996 -0.852927
C 3.590394 -2.537636 0.803379
C 4.235467 -3.046764 -0.492436
C 4.144357 -1.181073 1.254220
C 3.847250 -2.222888 -1.724499
C 3.565333 -0.040278 0.433973
C 2.206119 2.082099 0.570403
C 4.417979 -0.793376 -1.705693
C 0.803084 1.641690 0.181146
C 2.206843 3.283851 1.522522
C 0.586653 1.166541 -1.125418
C -0.261307 1.673485 1.090730
C -0.675122 0.732047 -1.524959
C -1.539183 1.249012 0.714738
C -1.720920 0.785571 -0.591150
C -3.905088 -0.208820 -0.312769
C -3.570434 -1.098043 0.714196
C -5.233758 0.042399 -0.692375
C -4.610653 -1.751142 1.382081
C -6.249283 -0.627722 -0.011523
C -5.942649 -1.519063 1.025676
H 3.757329 -3.280929 1.608091
H 2.491401 -2.471887 0.675622
H 5.337363 -3.064810 -0.382981
H 3.934712 -4.101544 -0.653920
H 5.250346 -1.159309 1.147542
H 3.964537 -1.044494 2.338456
H 4.201978 -2.739295 -2.637398
H 2.743412 -2.175838 -1.816684
H 2.775056 2.370838 -0.360589
H 5.496156 -0.810168 -1.432338
H 4.359184 -0.359284 -2.732402
H 2.462294 0.605233 2.059585
H 1.658190 4.124795 1.082440
H 3.234188 3.618979 1.718162
H 1.752763 3.061405 2.493361
H 1.425154 1.122227 -1.829106
H -0.103605 2.040166 2.105132
H -0.861820 0.363752 -2.531215
H -2.370290 1.293445 1.413808
H -2.532426 -1.286449 0.975526
H -5.444556 0.738998 -1.500442
H -4.376704 -2.450078 2.184899
H -7.289256 -0.453221 -0.287418
H -6.743656 -2.032718 1.551972


%chk=000183763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183763

0 1
O -3.227212 0.079916 -1.093306
N 2.800775 0.616353 1.148583
N 3.943795 0.245792 -0.860872
C 4.139805 -2.644045 0.511261
C 4.951508 -2.912191 -0.778327
C 4.402945 -1.249452 1.143130
C 4.658358 -1.948967 -1.952091
C 3.725168 -0.101601 0.388907
C 2.036739 1.774507 0.626421
C 4.976229 -0.458959 -1.651680
C 0.610782 1.357686 0.228135
C 2.106827 2.937678 1.635042
C 0.444579 0.504382 -0.897837
C -0.547546 1.772384 0.930650
C -0.832276 0.066554 -1.297968
C -1.837172 1.344134 0.540787
C -1.969684 0.483365 -0.570590
C -4.321610 -0.207422 -0.241434
C -4.173748 -0.771839 1.048132
C -5.602876 0.013681 -0.795015
C -5.331017 -1.103350 1.787772
C -6.749213 -0.326375 -0.044996
C -6.620634 -0.881831 1.250420
H 4.402283 -3.419069 1.258474
H 3.056518 -2.753162 0.304772
H 6.033432 -2.855854 -0.533017
H 4.760024 -3.953237 -1.107068
H 5.496669 -1.063023 1.159453
H 4.071277 -1.250102 2.199602
H 5.262129 -2.267562 -2.825934
H 3.593909 -2.024858 -2.252343
H 2.578922 2.055051 -0.296301
H 5.979579 -0.406056 -1.165666
H 5.061553 0.082586 -2.611532
H 2.527459 0.243903 2.058399
H 1.570568 3.824781 1.253062
H 3.160985 3.214628 1.806563
H 1.664159 2.666613 2.613206
H 1.336870 0.192948 -1.453162
H -0.459700 2.451035 1.785887
H -0.968866 -0.583086 -2.167834
H -2.724297 1.688446 1.081783
H -3.177114 -0.959635 1.459126
H -5.678421 0.442776 -1.798654
H -5.220500 -1.544138 2.784993
H -7.743189 -0.154941 -0.472842
H -7.512167 -1.142445 1.830509


