%chk=000248986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248986

0 1
O 0.871253 0.819373 1.333461
N -1.425976 1.156387 -0.251882
N 3.640039 0.829736 1.091369
C -0.903657 -0.136403 -0.768384
C 0.613201 -0.097331 -0.843974
C -1.346054 -1.348353 0.045996
C 1.438890 0.357551 0.173627
C 2.875716 0.351954 0.031344
C 1.225393 -0.578825 -2.039911
C 3.447684 -0.134876 -1.169953
C 2.589412 -0.603110 -2.205884
C -2.819276 1.415496 -0.276613
C -1.928141 -2.438834 -0.616337
C -1.182067 -1.390405 1.436564
C 4.879248 -0.123443 -1.267898
C 4.967277 0.826211 0.966269
C -2.346149 -3.558283 0.108957
C -1.603365 -2.509837 2.159204
C 5.628795 0.346080 -0.224383
C -3.311462 2.457349 0.547558
C -3.698003 0.749872 -1.157343
C -2.186644 -3.595171 1.497681
C 5.785766 1.339884 2.104802
C -4.651357 2.825800 0.466118
C -5.036859 1.136766 -1.217869
C -5.522335 2.171352 -0.413281
H -1.306132 -0.238731 -1.820332
H -0.938938 1.485696 0.590639
H 0.575149 -0.937128 -2.840992
H 3.031706 -0.976594 -3.127519
H -2.059079 -2.420476 -1.696301
H -0.715994 -0.550118 1.955972
H 5.345421 -0.492914 -2.181976
H -2.799019 -4.401495 -0.409133
H -1.476240 -2.535656 3.239993
H 6.715584 0.368754 -0.266035
H -2.646163 2.974792 1.232159
H -3.341903 -0.059814 -1.786109
H -2.515717 -4.465273 2.061721
H 1.573876 1.139006 1.979692
H 6.462755 0.564552 2.491568
H 5.160376 1.673295 2.949282
H 6.399136 2.199854 1.799162
H -5.026214 3.631394 1.096925
H -5.711577 0.621726 -1.901160
H -6.565758 2.464290 -0.467495


%chk=000248986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248986

0 1
O 0.955547 1.037057 1.314664
N -1.464661 1.022725 -0.052998
N 3.559600 0.981636 1.020889
C -0.958999 -0.194681 -0.688699
C 0.571662 -0.157476 -0.808624
C -1.396088 -1.508322 0.007745
C 1.417884 0.409302 0.155021
C 2.844999 0.378498 -0.001261
C 1.195035 -0.774307 -1.944943
C 3.444423 -0.243907 -1.145558
C 2.580614 -0.827284 -2.125345
C -2.785031 1.468134 -0.153989
C -1.873060 -2.598685 -0.758216
C -1.303288 -1.642891 1.415374
C 4.876658 -0.216865 -1.196484
C 4.907710 0.993129 0.949499
C -2.247125 -3.810737 -0.133622
C -1.677435 -2.850942 2.041968
C 5.594988 0.391585 -0.165116
C -3.154869 2.686651 0.494472
C -3.782536 0.769011 -0.897466
C -2.148757 -3.940181 1.270308
C 5.679539 1.654416 2.069167
C -4.465872 3.187318 0.392318
C -5.091167 1.288990 -0.997602
C -5.449644 2.497998 -0.359608
H -1.354231 -0.231471 -1.725524
H -0.840622 1.481322 0.615978
H 0.540359 -1.222840 -2.701442
H 3.007415 -1.308442 -3.011940
H -1.960773 -2.499518 -1.848871
H -0.945860 -0.796318 2.012306
H 5.397265 -0.675043 -2.045250
H -2.621398 -4.645612 -0.737162
H -1.605889 -2.944581 3.131723
H 6.689156 0.421157 -0.186767
H -2.399764 3.236694 1.070593
H -3.550362 -0.189090 -1.371659
H -2.442563 -4.875922 1.759260
H 1.801495 1.339144 1.786285
H 6.365362 0.937286 2.557799
H 4.985823 2.049936 2.826992
H 6.298591 2.487893 1.687637
H -4.721942 4.125310 0.899426
H -5.841070 0.732846 -1.573074
H -6.468523 2.891176 -0.438902


