%chk=000274778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274778

0 1
O -0.529242 -0.579510 1.162551
O 0.299280 -2.675311 0.942260
O 6.309198 0.488790 -0.827310
O 5.310040 2.405647 -0.719678
N -2.424462 -1.595269 -0.879143
N 5.332822 1.190401 -0.627120
C -3.004122 0.621507 0.062172
C -3.947533 0.833723 -1.138242
C -3.561848 1.362092 1.296674
C -2.826405 -0.895859 0.368865
C -4.137199 2.326329 -1.437267
C -3.741373 2.858364 1.004212
C -4.656318 3.083387 -0.207331
C -1.839304 -1.108740 1.542643
C -2.388562 -3.086670 -0.756690
C -2.050528 -3.687182 -2.120712
C 0.465335 -1.478399 0.871044
C 1.712695 -0.757052 0.485241
C 2.864865 -1.521793 0.244232
C 1.737637 0.639617 0.364045
C 4.053209 -0.887369 -0.120512
C 2.922634 1.281576 -0.000522
C 4.067854 0.509417 -0.238683
H -2.001788 1.046857 -0.186124
H -4.925647 0.358066 -0.937660
H -3.547875 0.317293 -2.033318
H -2.884303 1.233935 2.162074
H -4.533733 0.923837 1.592480
H -3.817113 -1.316264 0.692837
H -3.178928 2.767112 -1.772084
H -4.841077 2.450901 -2.281321
H -4.160284 3.366006 1.892949
H -2.755227 3.326002 0.820194
H -4.730588 4.163615 -0.430241
H -5.683561 2.747602 0.031632
H -1.747235 -2.170963 1.830977
H -2.090408 -0.495207 2.427436
H -1.517857 -1.246160 -1.205471
H -3.393105 -3.433191 -0.429500
H -1.652598 -3.441972 0.003309
H -2.152080 -4.777888 -2.102644
H -1.024761 -3.456455 -2.428491
H -2.720908 -3.302252 -2.901191
H 2.823915 -2.612429 0.343356
H 0.828288 1.219586 0.557399
H 4.965121 -1.464597 -0.313409
H 2.965478 2.372372 -0.101019


%chk=000274778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274778

0 1
O -0.542628 -0.593959 1.227858
O 0.415822 -2.705985 0.898638
O 6.442655 0.624124 -0.642483
O 5.396455 2.631093 -0.352738
N -2.482215 -1.707892 -0.908800
N 5.404822 1.340010 -0.365142
C -3.028259 0.548003 -0.054641
C -4.253582 0.721213 -0.991491
C -3.166220 1.482898 1.175187
C -2.839944 -0.957223 0.308067
C -4.450874 2.190772 -1.426612
C -3.369920 2.957658 0.747658
C -4.579848 3.124564 -0.200179
C -1.875938 -1.200363 1.505365
C -2.501834 -3.185408 -0.859014
C -2.296784 -3.773770 -2.266458
C 0.505223 -1.452105 0.898607
C 1.754345 -0.693550 0.573317
C 2.921951 -1.439646 0.264456
C 1.793519 0.725719 0.571628
C 4.124636 -0.779757 -0.045026
C 2.990488 1.398517 0.264559
C 4.137932 0.632848 -0.039617
H -2.119743 0.870534 -0.612492
H -5.162516 0.380089 -0.449397
H -4.136793 0.058201 -1.867504
H -2.268954 1.418009 1.819406
H -4.034586 1.157145 1.787983
H -3.821776 -1.347485 0.660169
H -3.583218 2.511567 -2.040535
H -5.346384 2.276998 -2.072282
H -3.493912 3.594468 1.645229
H -2.453752 3.311394 0.229484
H -4.669054 4.179836 -0.523630
H -5.511581 2.876850 0.349982
H -1.740204 -2.279704 1.691953
H -2.231492 -0.699552 2.419744
H -1.638120 -1.336011 -1.365557
H -3.491242 -3.495003 -0.467212
H -1.728093 -3.605833 -0.174274
H -2.333991 -4.877634 -2.237179
H -1.309867 -3.484433 -2.675768
H -3.076771 -3.409273 -2.957621
H 2.863557 -2.532301 0.275109
H 0.886496 1.284563 0.814436
H 5.039940 -1.326104 -0.285754
H 3.054652 2.489420 0.255473


