%chk=000224742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224742

0 1
O -3.777073 0.804883 1.335700
N 3.583753 -2.543952 -0.063237
N 2.501378 1.871477 0.467539
N -0.559121 0.913470 -2.309423
C 4.427494 0.312428 0.015626
C 3.958092 1.775581 0.149344
C 4.242540 -0.538125 1.275590
C 4.505359 -2.032791 1.001212
C 4.732211 2.546601 1.222847
C 4.058467 -3.832812 -0.643699
C 2.156206 -2.607416 0.391392
C 1.513684 1.508590 -0.445826
C 0.155139 1.316867 0.021999
C 4.183685 -5.012412 0.325846
C 1.235665 -2.360791 -0.804877
C 1.772557 1.391624 -1.815361
C -0.847672 1.023156 -0.955758
C -0.232157 1.408720 1.392156
C 0.709013 1.099925 -2.698016
C -2.204298 0.826820 -0.549681
C -1.530058 1.213553 1.786150
C -2.509677 0.919968 0.785702
C -4.819464 0.228958 0.594196
C -4.679521 -0.987559 -0.081195
C -6.040664 0.908502 0.693051
C -5.815783 -1.535820 -0.682558
C -7.160320 0.333792 0.088378
C -7.049845 -0.881020 -0.599451
H 5.488846 0.297731 -0.294947
H 3.872286 -0.174598 -0.821219
H 4.116353 2.285104 -0.842751
H 3.212300 -0.417409 1.666888
H 4.924250 -0.195202 2.076177
H 5.550080 -2.162631 0.642452
H 4.424354 -2.600219 1.953165
H 2.275259 1.792958 1.458434
H 4.624733 2.106538 2.220169
H 4.400285 3.591310 1.283988
H 5.804295 2.557805 0.991486
H 5.041501 -3.636092 -1.126782
H 3.357804 -4.098688 -1.467924
H 1.976902 -1.816610 1.154239
H 1.904455 -3.574892 0.877035
H 4.948635 -4.837208 1.088669
H 3.238875 -5.209608 0.845675
H 4.458358 -5.929047 -0.207337
H 1.503365 -1.427619 -1.322336
H 1.298519 -3.164408 -1.545649
H 0.190893 -2.273107 -0.489313
H 2.770105 1.526358 -2.216722
H 0.526804 1.640632 2.142475
H 0.903910 1.009728 -3.775470
H -2.949922 0.628329 -1.320274
H -1.846994 1.278953 2.824251
H -3.716532 -1.491217 -0.132476
H -6.098771 1.851820 1.231201
H -5.736588 -2.481728 -1.218405
H -8.124329 0.838452 0.149794
H -7.927526 -1.317153 -1.072038


%chk=000224742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224742

0 1
O -4.037106 1.281820 1.205207
N 3.768435 -2.634348 -0.015404
N 2.446902 1.723913 0.532771
N -0.656755 0.892852 -2.312346
C 4.488614 0.312295 0.086175
C 3.898630 1.743944 0.246302
C 4.373168 -0.582527 1.337627
C 4.668041 -2.072236 1.021419
C 4.602988 2.561327 1.349669
C 4.377327 -3.727953 -0.812351
C 2.392606 -2.900100 0.476118
C 1.449778 1.443871 -0.384853
C 0.055745 1.390419 0.036471
C 4.658789 -5.059785 -0.060781
C 1.366597 -3.103158 -0.655121
C 1.720838 1.209508 -1.754063
C -0.950613 1.110469 -0.968327
C -0.374664 1.601140 1.384971
C 0.649762 0.951845 -2.650309
C -2.329564 1.053306 -0.590787
C -1.722228 1.533192 1.740763
C -2.700701 1.253222 0.740611
C -5.077065 0.585141 0.534980
C -4.906438 -0.709804 -0.007613
C -6.340481 1.215024 0.536588
C -6.023506 -1.368957 -0.566959
C -7.448892 0.541308 -0.021866
C -7.295624 -0.750054 -0.579114
H 5.553159 0.410366 -0.211826
H 3.971434 -0.213757 -0.737791
H 4.043769 2.278430 -0.715791
H 3.352784 -0.489305 1.759804
H 5.075029 -0.256197 2.131350
H 5.706024 -2.152051 0.641311
H 4.632621 -2.653767 1.977115
H 2.176829 1.898142 1.499679
H 4.439970 2.114308 2.348883
H 4.233732 3.602327 1.369523
H 5.691826 2.584257 1.170503
H 5.327526 -3.341387 -1.229848
H 3.720504 -3.932168 -1.677906
H 2.078956 -2.020742 1.068158
H 2.359521 -3.774528 1.175344
H 5.342134 -4.903322 0.794081
H 3.728053 -5.515225 0.323672
H 5.132299 -5.789382 -0.744115
H 1.386398 -2.242649 -1.347094
H 1.558608 -4.023306 -1.235949
H 0.348503 -3.184050 -0.232075
H 2.741393 1.223052 -2.142296
H 0.347075 1.818104 2.182121
H 0.874759 0.779662 -3.710633
H -3.057086 0.860072 -1.383165
H -2.054466 1.691239 2.770688
H -3.925751 -1.194579 0.010969
H -6.434934 2.213588 0.973609
H -5.896574 -2.371952 -0.989202
H -8.430423 1.027962 -0.023664
H -8.156158 -1.268315 -1.015130


